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

Systemtic Name: 6-azanyl-5-[(6-azanyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-5-[(6-amino-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-5-[[6-amino-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 6-amino-5-[(6-amino-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-5-[[6-amino-4-keto-2-(methylthio)-1H-pyrimidin-5-yl]-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]-2-(methylthio)-1H-pyrimidin-4-one Formula: C24H22N8O2S3 MolecularWeight: 550.67888

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C(=C(N1)N)C(C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C5=C(NC(=NC5=O)SC)N

Isomeric SMILES

CSC1=NC(=O)C(=C(N1)N)C(C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C5=C(NC(=NC5=O)SC)N

InChI

InChI=1S/C24H22N8O2S3/c1-35-23-27-19(25)16(21(33)29-23)15(17-20(26)28-24(36-2)30-22(17)34)13-11-32(12-7-4-3-5-8-12)31-18(13)14-9-6-10-37-14/h3-11,15H,1-2H3,(H3,25,27,29,33)(H3,26,28,30,34)