6-azanyl-5-[(6-azanyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-(2-chlorophenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-5-[(6-azanyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-(2-chlorophenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-5-[(6-amino-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-(2-chlorophenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-5-[[6-amino-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]-(2-chlorophenyl)methyl]-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 6-amino-5-[(6-amino-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-(2-chlorophenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-5-[[6-amino-4-keto-2-(methylthio)-1H-pyrimidin-5-yl]-(2-chlorophenyl)methyl]-2-(methylthio)-1H-pyrimidin-4-one Formula: C17H17ClN6O2S2 MolecularWeight: 436.93888

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C(=C(N1)N)C(C2=CC=CC=C2Cl)C3=C(NC(=NC3=O)SC)N

Isomeric SMILES

CSC1=NC(=O)C(=C(N1)N)C(C2=CC=CC=C2Cl)C3=C(NC(=NC3=O)SC)N

InChI

InChI=1S/C17H17ClN6O2S2/c1-27-16-21-12(19)10(14(25)23-16)9(7-5-3-4-6-8(7)18)11-13(20)22-17(28-2)24-15(11)26/h3-6,9H,1-2H3,(H3,19,21,23,25)(H3,20,22,24,26)