2-[1-(5-oxidanylidene-1,4-diazepan-1-yl)propyl]-3-(phenylmethyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[1-(5-oxidanylidene-1,4-diazepan-1-yl)propyl]-3-(phenylmethyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-benzyl-2-[1-(5-oxo-1,4-diazepan-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[1-(5-oxo-1,4-diazepan-1-yl)propyl]-3-(phenylmethyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-benzyl-2-[1-(5-oxo-1,4-diazepan-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-benzyl-2-[1-(5-keto-1,4-diazepan-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(C=CS2)C(=O)N1CC3=CC=CC=C3)N4CCC(=O)NCC4

Isomeric SMILES

CCC(C1=NC2=C(C=CS2)C(=O)N1CC3=CC=CC=C3)N4CCC(=O)NCC4

InChI

InChI=1S/C21H24N4O2S/c1-2-17(24-11-8-18(26)22-10-12-24)19-23-20-16(9-13-28-20)21(27)25(19)14-15-6-4-3-5-7-15/h3-7,9,13,17H,2,8,10-12,14H2,1H3,(H,22,26)