1-[(E)-(4-oxidanylidene-2-phenylsulfanyl-pyrido[1,2-a]pyrimidin-3-yl)methylideneamino]thiourea

Systemtic Name: 1-[(E)-(4-oxidanylidene-2-phenylsulfanyl-pyrido[1,2-a]pyrimidin-3-yl)methylideneamino]thiourea Openeye Name: [(E)-(4-oxo-2-phenylsulfanyl-pyrido[1,2-a]pyrimidin-3-yl)methyleneamino]thiourea CAS Name: [(E)-[4-oxo-2-(phenylthio)-3-pyrido[1,2-a]pyrimidinyl]methylideneamino]thiourea IUPAC Name: [(E)-(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]thiourea Traditional Name: [(E)-[4-keto-2-(phenylthio)pyrido[1,2-a]pyrimidin-3-yl]methyleneamino]thiourea Formula: C16H13N5OS2 MolecularWeight: 355.43732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C(=O)N3C=CC=CC3=N2)C=NNC(=S)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C(=O)N3C=CC=CC3=N2)/C=N/NC(=S)N

InChI

InChI=1S/C16H13N5OS2/c17-16(23)20-18-10-12-14(24-11-6-2-1-3-7-11)19-13-8-4-5-9-21(13)15(12)22/h1-10H,(H3,17,20,23)/b18-10+