N4-(3-bromophenyl)-N6-(3-imidazol-1-ylpropyl)pyrimido[5,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-bromophenyl)-N6-(3-imidazol-1-ylpropyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-bromophenyl)-N6-(3-imidazol-1-ylpropyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-bromophenyl)-N6-[3-(1-imidazolyl)propyl]pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-N-(3-imidazol-1-ylpropyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]-(3-imidazol-1-ylpropyl)amine Formula: C18H17BrN8 MolecularWeight: 425.28518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN8/c19-13-3-1-4-14(9-13)25-17-16-15(23-11-24-17)10-22-18(26-16)21-5-2-7-27-8-6-20-12-27/h1,3-4,6,8-12H,2,5,7H2,(H,21,22,26)(H,23,24,25)