1-[(4-oxidanylidene-2-pyridin-2-ylsulfanyl-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methylamino]thiourea

Systemtic Name: 1-[(4-oxidanylidene-2-pyridin-2-ylsulfanyl-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methylamino]thiourea Openeye Name: [[4-oxo-2-(2-pyridylsulfanyl)pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]thiourea CAS Name: [[4-oxo-2-(2-pyridinylthio)-3-pyrido[1,2-a]pyrimidin-5-iumylidene]methylamino]thiourea IUPAC Name: [(4-oxo-2-pyridin-2-ylsulfanylpyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methylamino]thiourea Traditional Name: [[4-keto-2-(2-pyridylthio)pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]thiourea Formula: C15H13N6OS2+ MolecularWeight: 357.43332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SC2=NC3=CC=CC=[N+]3C(=O)C2=CNNC(=S)N

Isomeric SMILES

C1=CC=NC(=C1)SC2=NC3=CC=CC=[N+]3C(=O)C2=CNNC(=S)N

InChI

InChI=1S/C15H12N6OS2/c16-15(23)20-18-9-10-13(24-12-6-1-3-7-17-12)19-11-5-2-4-8-21(11)14(10)22/h1-9H,(H3,16,20,23)/p+1