2-(4-azanyl-6-oxidanylidene-2-sulfanylidene-5H-pyrimidin-5-yl)-1-(4-methylphenyl)-4-phenyl-butane-1,4-dione

Systemtic Name: 2-(4-azanyl-6-oxidanylidene-2-sulfanylidene-5H-pyrimidin-5-yl)-1-(4-methylphenyl)-4-phenyl-butane-1,4-dione Openeye Name: 2-(4-amino-6-oxo-2-thioxo-5H-pyrimidin-5-yl)-4-phenyl-1-(p-tolyl)butane-1,4-dione CAS Name: 2-(4-amino-6-oxo-2-sulfanylidene-5H-pyrimidin-5-yl)-1-(4-methylphenyl)-4-phenylbutane-1,4-dione IUPAC Name: 2-(4-amino-6-oxo-2-sulfanylidene-5H-pyrimidin-5-yl)-1-(4-methylphenyl)-4-phenylbutane-1,4-dione Traditional Name: 2-(4-amino-6-keto-2-thioxo-5H-pyrimidin-5-yl)-4-phenyl-1-(p-tolyl)butane-1,4-dione Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(CC(=O)C2=CC=CC=C2)C3C(=NC(=S)NC3=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(CC(=O)C2=CC=CC=C2)C3C(=NC(=S)NC3=O)N

InChI

InChI=1S/C21H19N3O3S/c1-12-7-9-14(10-8-12)18(26)15(11-16(25)13-5-3-2-4-6-13)17-19(22)23-21(28)24-20(17)27/h2-10,15,17H,11H2,1H3,(H3,22,23,24,27,28)