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

Systemtic Name: 6-azanyl-5-[(6-azanyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-(3-methoxy-4-oxidanyl-phenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-5-[(6-amino-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-(4-hydroxy-3-methoxy-phenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-5-[[6-amino-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]-(4-hydroxy-3-methoxyphenyl)methyl]-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 6-amino-5-[(6-amino-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-(4-hydroxy-3-methoxyphenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-5-[[6-amino-4-keto-2-(methylthio)-1H-pyrimidin-5-yl]-(4-hydroxy-3-methoxy-phenyl)methyl]-2-(methylthio)-1H-pyrimidin-4-one Formula: C18H20N6O4S2 MolecularWeight: 448.5192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=C(NC(=NC2=O)SC)N)C3=C(NC(=NC3=O)SC)N)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=C(NC(=NC2=O)SC)N)C3=C(NC(=NC3=O)SC)N)O

InChI

InChI=1S/C18H20N6O4S2/c1-28-9-6-7(4-5-8(9)25)10(11-13(19)21-17(29-2)23-15(11)26)12-14(20)22-18(30-3)24-16(12)27/h4-6,10,25H,1-3H3,(H3,19,21,23,26)(H3,20,22,24,27)