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

Systemtic Name: 6-azanyl-5-[(6-azanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-(3-methoxy-4-oxidanyl-phenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 6-amino-5-[(6-amino-4-oxo-2-thioxo-1H-pyrimidin-5-yl)-(4-hydroxy-3-methoxy-phenyl)methyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-amino-5-[(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-(4-hydroxy-3-methoxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-amino-5-[(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-(4-hydroxy-3-methoxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-amino-5-[(6-amino-4-keto-2-thioxo-1H-pyrimidin-5-yl)-(4-hydroxy-3-methoxy-phenyl)methyl]-2-thioxo-1H-pyrimidin-4-one Formula: C16H16N6O4S2 MolecularWeight: 420.46604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6O4S2/c1-26-7-4-5(2-3-6(7)23)8(9-11(17)19-15(27)21-13(9)24)10-12(18)20-16(28)22-14(10)25/h2-4,8,23H,1H3,(H4,17,19,21,24,27)(H4,18,20,22,25,28)