N4-(3-bromophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine

Systemtic Name: N4-(3-bromophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine Openeye Name: N4-(3-bromophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine CAS Name: N4-(3-bromophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-(3-bromophenyl)amine Formula: C21H18BrN5O2 MolecularWeight: 452.30392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(C=C2)N=C(N=C3NC4=CC(=CC=C4)Br)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(C=C2)N=C(N=C3NC4=CC(=CC=C4)Br)N)OC

InChI

InChI=1S/C21H18BrN5O2/c1-28-17-9-6-12(10-18(17)29-2)15-7-8-16-19(25-15)20(27-21(23)26-16)24-14-5-3-4-13(22)11-14/h3-11H,1-2H3,(H3,23,24,26,27)