Methyl 6-bromomethyl-1-isobutyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxylate

HCID 16102871

기본 정보

표준 SMILES
COC(=O)c1c(CBr)sc2c1c(=O)n(C)c(=O)n2CC(C)C
InChIKey
FAFMDAMSLFFIFX-UHFFFAOYSA-N
분자식
C14H17BrN2O4S
평균 분자량
389.27 g/mol

이름 및 식별자

우선 이름
Methyl 6-bromomethyl-1-isobutyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxylate
IUPAC
methyl 6-(bromomethyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylate

이름 및 동의어

SCHEMBL3827762FAFMDAMSLFFIFX-UHFFFAOYSA-N491614-00-7methyl 6-bromomethyl-1-isobutyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxylateDB-320069Methyl 6-(bromomethyl)-1,2,3,4-tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylateMethyl 6-(bromomethyl)-1,2,3,4-tetrahydro-3-methyl-1-(isobutyl)-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylatemethyl 6-(bromomethyl)-1-isobutyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxylate

데이터베이스 식별자

PubChem CID
16102871

물성

구조 계산 물성

XLogP
2.6
극성 표면적
95.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
5
무거운 원자 수
22

관련 반응

7건

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