4-azanyl-7-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrido[2,3-d]pyrimidine-2-thione

Systemtic Name: 4-azanyl-7-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrido[2,3-d]pyrimidine-2-thione Openeye Name: 4-amino-7-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrido[2,3-d]pyrimidine-2-thione CAS Name: 4-amino-7-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrido[2,3-d]pyrimidine-2-thione IUPAC Name: 4-amino-7-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrido[2,3-d]pyrimidine-2-thione Traditional Name: 4-amino-7-(3,4-dimethoxyphenyl)-5-phenyl-3H-pyrido[2,3-d]pyrimidine-2-thione Formula: C21H18N4O2S MolecularWeight: 390.45822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=NC(=S)NC(=C3C(=C2)C4=CC=CC=C4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=NC(=S)NC(=C3C(=C2)C4=CC=CC=C4)N)OC

InChI

InChI=1S/C21H18N4O2S/c1-26-16-9-8-13(10-17(16)27-2)15-11-14(12-6-4-3-5-7-12)18-19(22)24-21(28)25-20(18)23-15/h3-11H,1-2H3,(H3,22,23,24,25,28)