기본 정보
- CAS
303973-45-7- 표준 SMILES
Cc1cccc(Cn2c(SCCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)c1- InChIKey
ZZLQBRIIVQQOHJ-UHFFFAOYSA-N- 분자식
- C19H24N4O2S
- 평균 분자량
- 372.5 g/mol
이름 및 식별자
- 우선 이름
- 3-Methyl-8-(3-methylbutylsulfanyl)-7-[(3-methylphenyl)methyl]purine-2,6-dione
- IUPAC
- 3-methyl-8-(3-methylbutylsulfanyl)-7-[(3-methylphenyl)methyl]purine-2,6-dione
- 영어명
- 8-(isopentylthio)-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
- 분자식
- C19H24N4O2S
- 분자량
- 372.48
이름 및 동의어
303973-45-73-methyl-8-(3-methylbutylsulfanyl)-7-[(3-methylphenyl)methyl]purine-2,6-dione8-(isopentylsulfanyl)-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione8-(isopentylthio)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dioneOprea1_592949Oprea1_783706STK806184AKOS000717508ST50241267AG-690/12244878F0381-3219Z239085114
이름 더 보기
8-(isopentylthio)-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-8-[(3-methylbutyl)thio]-7-[(3-methylphenyl)methyl]-
3-methyl-7-(3-methylbenzyl)-8-[(3-methylbutyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione3-methyl-8-(3-methylbutylthio)-7-[(3-methylphenyl)methyl]-1,3,7-trihydropurine -2,6-dione
데이터베이스 식별자
- CAS
303973-45-7
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 92.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 530
화학 및 산업
공급사4 곳
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
SPECS[email protected]
IFLAB-BB[email protected]
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