4-thiophen-3-yl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepin-2-one

Systemtic Name: 4-thiophen-3-yl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepin-2-one Openeye Name: 4-(3-thienyl)-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepin-2-one CAS Name: 4-(3-thiophenyl)-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepin-2-one IUPAC Name: 4-thiophen-3-yl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepin-2-one Traditional Name: 4-(3-thienyl)-1,3,5,6,7,8-hexahydropyrimid[4,5-b]azepin-2-one Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NC(=O)N2)C3=CSC=C3)C1

Isomeric SMILES

C1CCN=C2C(=C(NC(=O)N2)C3=CSC=C3)C1

InChI

InChI=1S/C12H13N3OS/c16-12-14-10(8-4-6-17-7-8)9-3-1-2-5-13-11(9)15-12/h4,6-7H,1-3,5H2,(H2,13,14,15,16)