3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C21H23N3O2S/c1-15-6-8-16(9-7-15)17-13-27-20-19(17)21(26)24(14-22-20)12-18(25)23-10-4-2-3-5-11-23/h6-9,13-14H,2-5,10-12H2,1H3