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

Systemtic Name: 1-[(E)-(4-oxidanylidene-2-pyridin-2-ylsulfanyl-pyrido[1,2-a]pyrimidin-3-yl)methylideneamino]-3-phenyl-thiourea Openeye Name: 1-[(E)-[4-oxo-2-(2-pyridylsulfanyl)pyrido[1,2-a]pyrimidin-3-yl]methyleneamino]-3-phenyl-thiourea CAS Name: 1-[(E)-[4-oxo-2-(2-pyridinylthio)-3-pyrido[1,2-a]pyrimidinyl]methylideneamino]-3-phenylthiourea IUPAC Name: 1-[(E)-(4-oxo-2-pyridin-2-ylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]-3-phenylthiourea Traditional Name: 1-[(E)-[4-keto-2-(2-pyridylthio)pyrido[1,2-a]pyrimidin-3-yl]methyleneamino]-3-phenyl-thiourea Formula: C21H16N6OS2 MolecularWeight: 432.52134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NN=CC2=C(N=C3C=CC=CN3C2=O)SC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)N/N=C/C2=C(N=C3C=CC=CN3C2=O)SC4=CC=CC=N4

InChI

InChI=1S/C21H16N6OS2/c28-20-16(14-23-26-21(29)24-15-8-2-1-3-9-15)19(30-18-11-4-6-12-22-18)25-17-10-5-7-13-27(17)20/h1-14H,(H2,24,26,29)/b23-14+