6-[(3,4-dimethoxyphenyl)sulfanylmethyl]pyrido[2,3-d]pyrimidine-2,4-diamine

Systemtic Name: 6-[(3,4-dimethoxyphenyl)sulfanylmethyl]pyrido[2,3-d]pyrimidine-2,4-diamine Openeye Name: 6-[(3,4-dimethoxyphenyl)sulfanylmethyl]pyrido[2,3-d]pyrimidine-2,4-diamine CAS Name: 6-[[(3,4-dimethoxyphenyl)thio]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 6-[(3,4-dimethoxyphenyl)sulfanylmethyl]pyrido[2,3-d]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-[[(3,4-dimethoxyphenyl)thio]methyl]pyrido[2,3-d]pyrimidin-4-yl]amine Formula: C16H17N5O2S MolecularWeight: 343.40348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC2=CN=C3C(=C2)C(=NC(=N3)N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC2=CN=C3C(=C2)C(=NC(=N3)N)N)OC

InChI

InChI=1S/C16H17N5O2S/c1-22-12-4-3-10(6-13(12)23-2)24-8-9-5-11-14(17)20-16(18)21-15(11)19-7-9/h3-7H,8H2,1-2H3,(H4,17,18,19,20,21)