기본 정보
- CAS
76360-85-5- 표준 SMILES
CCCn1c(=O)c(C(=O)OCC)c(O)c2cnc(SC)nc21- InChIKey
RKBWKNDYYVDLAD-UHFFFAOYSA-N- 분자식
- C14H17N3O4S
- 평균 분자량
- 323.37 g/mol
- 단동위원소 질량
- 323.09397702
이름 및 식별자
- 우선 이름
- Ethyl 5-hydroxy-2-(methylthio)-7-oxo-8-propyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
- IUPAC
- ethyl 5-hydroxy-2-methylsulfanyl-7-oxo-8-propylpyrido[2,3-d]pyrimidine-6-carboxylate
- 영어명
- ethyl 5-hydroxy-2-(methylthio)-7-oxo-8-propyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
- 분자식
- C14H17N3O4S
- 분자량
- 323.37
이름 및 동의어
76360-85-5Ethyl 5-hydroxy-2-(methylthio)-7-oxo-8-propyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylateethyl 5-hydroxy-2-methylsulfanyl-7-oxo-8-propylpyrido[2,3-d]pyrimidine-6-carboxylateSCHEMBL11155647DTXSID20716353RKBWKNDYYVDLAD-UHFFFAOYSA-NAKOS015856206ethyl5-hydroxy-2-(methylthio)-7-oxo-8-propyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylateDB-0751157,8-dihydro-5-hydroxy-2-(methylthio)-7-oxo-8-propylpyrido[2,3-d]-pyrimidine-6-carboxylic acid ethyl ester7,8-dihydro-5-hydroxy-2-(methylthio)-7-oxo-8-propylpyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl esterEthyl 5-hydroxy-2-(methylsulfanyl)-7-oxo-8-propyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
이름 더 보기
ethyl 5-hydroxy-2-(Methylthio)-7-oxo-8-propyl-7,8-dihydropyrido[Pyrido[2,3-d]pyrimidine-6-carboxylic acid, 7,8-dihydro-5-hydroxy-2-(methylthio)-7-oxo-8-propyl-, ethyl ester
데이터베이스 식별자
- CAS
76360-85-5- PubChem CID
- 54729612
- DTXSID
DTXSID20716353
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 483
안전 및 규제
안전 데이터
- 위험 등급
- IRRITANT
화학 및 산업
공급사1 곳
上海相辉医药科技有限公司[email protected]
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