6-azanyl-1-[(3,4-dimethoxyphenyl)methyl]-5-nitroso-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 6-azanyl-1-[(3,4-dimethoxyphenyl)methyl]-5-nitroso-2-sulfanylidene-pyrimidin-4-one Openeye Name: 6-amino-1-[(3,4-dimethoxyphenyl)methyl]-5-nitroso-2-thioxo-pyrimidin-4-one CAS Name: 6-amino-1-[(3,4-dimethoxyphenyl)methyl]-5-nitroso-2-sulfanylidene-4-pyrimidinone IUPAC Name: 6-amino-1-[(3,4-dimethoxyphenyl)methyl]-5-nitroso-2-sulfanylidenepyrimidin-4-one Traditional Name: 6-amino-5-nitroso-2-thioxo-1-veratryl-pyrimidin-4-one Formula: C13H14N4O4S MolecularWeight: 322.33966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=C(C(=O)NC2=S)N=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=C(C(=O)NC2=S)N=O)N)OC

InChI

InChI=1S/C13H14N4O4S/c1-20-8-4-3-7(5-9(8)21-2)6-17-11(14)10(16-19)12(18)15-13(17)22/h3-5H,6,14H2,1-2H3,(H,15,18,22)