N4-(3-bromophenyl)-N6-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-bromophenyl)-N6-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-bromophenyl)-N6-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-bromophenyl)-N6-[3-(1-imidazolyl)propyl]pyrido[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-N-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-(3-imidazol-1-ylpropyl)amine Formula: C19H18BrN7 MolecularWeight: 424.29712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC=NC3=CN=C(C=C32)NCCCN4C=CN=C4

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC=NC3=CN=C(C=C32)NCCCN4C=CN=C4

InChI

InChI=1S/C19H18BrN7/c20-14-3-1-4-15(9-14)26-19-16-10-18(23-11-17(16)24-12-25-19)22-5-2-7-27-8-6-21-13-27/h1,3-4,6,8-13H,2,5,7H2,(H,22,23)(H,24,25,26)