1-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-3-[(2-nitrophenyl)methylidene]thiourea

Systemtic Name: 1-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-3-[(2-nitrophenyl)methylidene]thiourea Openeye Name: 1-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-3-[(2-nitrophenyl)methylene]thiourea CAS Name: 1-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-3-[(2-nitrophenyl)methylidene]thiourea IUPAC Name: 1-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-3-[(2-nitrophenyl)methylidene]thiourea Traditional Name: 1-(4-keto-6-methyl-1H-pyrimidin-2-yl)-3-(2-nitrobenzylidene)thiourea Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)NC(=S)N=CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)NC(=S)N=CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O3S/c1-8-6-11(19)16-12(15-8)17-13(22)14-7-9-4-2-3-5-10(9)18(20)21/h2-7H,1H3,(H2,15,16,17,19,22)