Ethyl 1,2,3,4-tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-(4-quinolinylmethyl)thieno[2,3-d]pyrimidine-5-carboxylate

HCID 5282570
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOC(=O)c1c(Cc2ccnc3ccccc23)sc2c1c(=O)n(C)c(=O)n2CC(C)C
InChIKey
QOMWYGUACIUJEM-UHFFFAOYSA-N
분자식
C24H25N3O4S
평균 분자량
451.5 g/mol
단동위원소 질량
451.15657746

이름 및 식별자

우선 이름
Ethyl 1,2,3,4-tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-(4-quinolinylmethyl)thieno[2,3-d]pyrimidine-5-carboxylate
IUPAC
ethyl 3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-(quinolin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxylate

이름 및 동의어

Ethyl 1,2,3,4-tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-(4-quinolinylmethyl)thieno[2,3-d]pyrimidine-5-carboxylateSCHEMBL3828070QOMWYGUACIUJEM-UHFFFAOYSA-NEthyl 1,2,3,4-tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-(4-quinolinylmethyl)-thieno[2,3-d]pyrimidine-5-carboxylateEthyl 1,2,3,4-tetrahydro-3-methyl-1-(isobutyl)-2,4-dioxo-6-(4-quinolinylmethyl)-thieno[2,3-d]pyrimidine-5-carboxylate

데이터베이스 식별자

PubChem CID
5282570

물성

구조 계산 물성

XLogP
4.6
극성 표면적
108 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
7
무거운 원자 수
32

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