7-(1,3-benzodioxol-5-yl)-5-(3-bromanyl-4,5-dimethoxy-phenyl)pyrido[2,3-d]pyrimidin-4-amine

Systemtic Name: 7-(1,3-benzodioxol-5-yl)-5-(3-bromanyl-4,5-dimethoxy-phenyl)pyrido[2,3-d]pyrimidin-4-amine Openeye Name: 7-(1,3-benzodioxol-5-yl)-5-(3-bromo-4,5-dimethoxy-phenyl)pyrido[2,3-d]pyrimidin-4-amine CAS Name: 7-(1,3-benzodioxol-5-yl)-5-(3-bromo-4,5-dimethoxyphenyl)-4-pyrido[2,3-d]pyrimidinamine IUPAC Name: 7-(1,3-benzodioxol-5-yl)-5-(3-bromo-4,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine Traditional Name: [7-(1,3-benzodioxol-5-yl)-5-(3-bromo-4,5-dimethoxy-phenyl)pyrido[2,3-d]pyrimidin-4-yl]amine Formula: C22H17BrN4O4 MolecularWeight: 481.29878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=CC(=NC3=C2C(=NC=N3)N)C4=CC5=C(C=C4)OCO5)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=CC(=NC3=C2C(=NC=N3)N)C4=CC5=C(C=C4)OCO5)Br)OC

InChI

InChI=1S/C22H17BrN4O4/c1-28-18-7-12(5-14(23)20(18)29-2)13-8-15(27-22-19(13)21(24)25-9-26-22)11-3-4-16-17(6-11)31-10-30-16/h3-9H,10H2,1-2H3,(H2,24,25,26,27)