기본 정보
- CAS
136160-32-2- 표준 SMILES
CCOCn1c(Sc2ccccc2)c(C(C)C)c(=O)[nH]c1=O- InChIKey
SFVSRXRSAJNPAC-UHFFFAOYSA-N- 분자식
- C16H20N2O3S
- 평균 분자량
- 320.4 g/mol
- 단동위원소 질량
- 320.11946368
개요
1-(ethoxymethyl)-5-isopropyl-6-(phenylsulfanyl)uracil is a pyrimidone that is uracil in which positions 1, 5, and 6 are substituted by ethoxymethyl, isopropyl, and phenylsulfanyl groups, respectively. It is an aryl sulfide and a pyrimidone. It is functionally related to a uracil.
이름 및 식별자
- 우선 이름
- 5-Isopropyl-1-ethoxymethyl-6-(phenylthio)uracil
- IUPAC
- 1-(ethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione
이름 및 동의어
5-Isopropyl-1-ethoxymethyl-6-(phenylthio)uracil136160-32-2I-EPU, I-HEPU1-(ethoxymethyl)-6-(phenylsulfanyl)-5-(propan-2-yl)pyrimidine-2,4(1h,3h)-dione1-EtOMe-6PhS-5-i-Pr U1-(ethoxymethyl)-5-isopropyl-6-(phenylsulfanyl)uracilCHEMBL387115-isopropyl-1-(ethoxymethyl)-6-(phenylthio)uracil1-(ethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dioneCHEBI:40152DTXSID70159711BDBM50004119
이름 더 보기
Q271203901-(ethoxymethyl)-5-isopropyl-6-phenylsulfanyl-pyrimidine-2,4-dione1-Ethoxymethyl-5-isopropyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione1-(ethoxymethyl)-5-(1-methylethyl)-6-(phenylsulfanyl)pyrimidine-2,4(1H,3H)-dione
데이터베이스 식별자
- CAS
136160-32-2- PubChem CID
- 5495
- DTXSID
DTXSID70159711- ChEMBL
CHEMBL38711- ChEBI
CHEBI:40152- Nikkaji
- J522.710K
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 83.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 456
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…