2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide

Systemtic Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide Openeye Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide CAS Name: 2-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-[2-(1-pyrrolidinyl)ethyl]propanamide IUPAC Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide Traditional Name: 2-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]-N-(2-pyrrolidinoethyl)propionamide Formula: C22H29BrN4O2S MolecularWeight: 493.46026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SC(C)C(=O)NCCN2CCCC2)C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SC(C)C(=O)NCCN2CCCC2)C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H29BrN4O2S/c1-15-19(14-17-6-8-18(23)9-7-17)21(29)26(3)22(25-15)30-16(2)20(28)24-10-13-27-11-4-5-12-27/h6-9,16H,4-5,10-14H2,1-3H3,(H,24,28)