6-azanyl-5-[(6-azanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-5-[(6-azanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 6-amino-5-[(6-amino-4-oxo-2-thioxo-1H-pyrimidin-5-yl)-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-amino-5-[(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-amino-5-[(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-amino-5-[(6-amino-4-keto-2-thioxo-1H-pyrimidin-5-yl)-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]-2-thioxo-1H-pyrimidin-4-one Formula: C25H22N8O2S2 MolecularWeight: 530.62458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(C3=C(NC(=S)NC3=O)N)C4=C(NC(=S)NC4=O)N)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(C3=C(NC(=S)NC3=O)N)C4=C(NC(=S)NC4=O)N)C5=CC=CC=C5

InChI

InChI=1S/C25H22N8O2S2/c1-12-7-9-13(10-8-12)19-15(11-33(32-19)14-5-3-2-4-6-14)16(17-20(26)28-24(36)30-22(17)34)18-21(27)29-25(37)31-23(18)35/h2-11,16H,1H3,(H4,26,28,30,34,36)(H4,27,29,31,35,37)