methyl 4-[(2-azanyl-4-sulfanylidene-1H-pteridin-6-yl)methyl-methyl-amino]benzoate

Systemtic Name: methyl 4-[(2-azanyl-4-sulfanylidene-1H-pteridin-6-yl)methyl-methyl-amino]benzoate Openeye Name: methyl 4-[(2-amino-4-thioxo-1H-pteridin-6-yl)methyl-methyl-amino]benzoate CAS Name: 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoate Traditional Name: 4-[(2-amino-4-thioxo-1H-pteridin-6-yl)methyl-methyl-amino]benzoic acid methyl ester Formula: C16H16N6O2S MolecularWeight: 356.40224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C2C(=N1)C(=S)N=C(N2)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(CC1=CN=C2C(=N1)C(=S)N=C(N2)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C16H16N6O2S/c1-22(11-5-3-9(4-6-11)15(23)24-2)8-10-7-18-13-12(19-10)14(25)21-16(17)20-13/h3-7H,8H2,1-2H3,(H3,17,18,20,21,25)