기본 정보
- 표준 SMILES
COC(=O)c1c(C)sc2c1c(=O)n(C)c(=O)n2CC(C)C- InChIKey
ZOZLIRDDECXJGM-UHFFFAOYSA-N- 분자식
- C14H18N2O4S
- 평균 분자량
- 310.37 g/mol
- 단동위원소 질량
- 310.09872823
이름 및 식별자
- 우선 이름
- Methyl 1-isobutyl-3,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxylate
- IUPAC
- methyl 3,6-dimethyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylate
이름 및 동의어
491613-98-0methyl 1-isobutyl-3,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxylateThieno[2,3-d]pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-3,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-, methyl esterMethyl 1,2,3,4-tetrahydro-3,6-dimethyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylateSCHEMBL3826819ZOZLIRDDECXJGM-UHFFFAOYSA-NDB-370680CS-0452922P16456methyl 1-isobutyl-3,6-dimethyl-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylatemethyl 1,2,3,4-tetrahydro-3,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylateMethyl 1,2,3,4-tetrahydro-3,6-dimethyl-1-(isobutyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylate
이름 더 보기
Thieno[2,3-d]pyrimidine-5-carboxylicacid,1,2,3,4-tetrahydro-3,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-,methylester
데이터베이스 식별자
- PubChem CID
- 5282532
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 95.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 468
관련 반응
3건
연결된 노트
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