N4-(3-bromophenyl)-N6-(2-imidazol-1-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-bromophenyl)-N6-(2-imidazol-1-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-bromophenyl)-N6-(2-imidazol-1-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-bromophenyl)-N6-[2-(1-imidazolyl)ethyl]pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-N-(2-imidazol-1-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]-(2-imidazol-1-ylethyl)amine Formula: C17H15BrN8 MolecularWeight: 411.2586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC=NC3=CN=C(N=C32)NCCN4C=CN=C4

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC=NC3=CN=C(N=C32)NCCN4C=CN=C4

InChI

InChI=1S/C17H15BrN8/c18-12-2-1-3-13(8-12)24-16-15-14(22-10-23-16)9-21-17(25-15)20-5-7-26-6-4-19-11-26/h1-4,6,8-11H,5,7H2,(H,20,21,25)(H,22,23,24)