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

Systemtic Name: 7-(1,3-benzodioxol-5-yl)-5-(3-bromanyl-4-methoxy-phenyl)pyrido[2,3-d]pyrimidin-4-amine Openeye Name: 7-(1,3-benzodioxol-5-yl)-5-(3-bromo-4-methoxy-phenyl)pyrido[2,3-d]pyrimidin-4-amine CAS Name: 7-(1,3-benzodioxol-5-yl)-5-(3-bromo-4-methoxyphenyl)-4-pyrido[2,3-d]pyrimidinamine IUPAC Name: 7-(1,3-benzodioxol-5-yl)-5-(3-bromo-4-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine Traditional Name: [7-(1,3-benzodioxol-5-yl)-5-(3-bromo-4-methoxy-phenyl)pyrido[2,3-d]pyrimidin-4-yl]amine Formula: C21H15BrN4O3 MolecularWeight: 451.2728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN4O3/c1-27-16-4-2-11(6-14(16)22)13-8-15(26-21-19(13)20(23)24-9-25-21)12-3-5-17-18(7-12)29-10-28-17/h2-9H,10H2,1H3,(H2,23,24,25,26)