1-[[4-oxidanylidene-5-(phenylmethyl)-2-sulfanylidene-1H-pyrimidin-6-yl]methylideneamino]thiourea

Systemtic Name: 1-[[4-oxidanylidene-5-(phenylmethyl)-2-sulfanylidene-1H-pyrimidin-6-yl]methylideneamino]thiourea Openeye Name: [(5-benzyl-4-oxo-2-thioxo-1H-pyrimidin-6-yl)methyleneamino]thiourea CAS Name: [[4-oxo-5-(phenylmethyl)-2-sulfanylidene-1H-pyrimidin-6-yl]methylideneamino]thiourea IUPAC Name: [(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea Traditional Name: [(5-benzyl-4-keto-2-thioxo-1H-pyrimidin-6-yl)methyleneamino]thiourea Formula: C13H13N5OS2 MolecularWeight: 319.40522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(NC(=S)NC2=O)C=NNC(=S)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(NC(=S)NC2=O)C=NNC(=S)N

InChI

InChI=1S/C13H13N5OS2/c14-12(20)18-15-7-10-9(11(19)17-13(21)16-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,14,18,20)(H2,16,17,19,21)