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

Systemtic Name: N4-(3-bromophenyl)-N6-(3-morpholin-4-ylpropyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-bromophenyl)-N6-(3-morpholinopropyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-bromophenyl)-N6-[3-(4-morpholinyl)propyl]pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-N-(3-morpholin-4-ylpropyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]-(3-morpholinopropyl)amine Formula: C19H22BrN7O MolecularWeight: 444.32828

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1COCCN1CCCNC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C19H22BrN7O/c20-14-3-1-4-15(11-14)25-18-17-16(23-13-24-18)12-22-19(26-17)21-5-2-6-27-7-9-28-10-8-27/h1,3-4,11-13H,2,5-10H2,(H,21,22,26)(H,23,24,25)