N4-(3-bromophenyl)-N7-(4-morpholin-4-ylbutyl)pyrido[4,3-d]pyrimidine-4,7-diamine

Systemtic Name: N4-(3-bromophenyl)-N7-(4-morpholin-4-ylbutyl)pyrido[4,3-d]pyrimidine-4,7-diamine Openeye Name: N4-(3-bromophenyl)-N7-(4-morpholinobutyl)pyrido[4,3-d]pyrimidine-4,7-diamine CAS Name: N4-(3-bromophenyl)-N7-[4-(4-morpholinyl)butyl]pyrido[4,3-d]pyrimidine-4,7-diamine IUPAC Name: 4-N-(3-bromophenyl)-7-N-(4-morpholin-4-ylbutyl)pyrido[4,3-d]pyrimidine-4,7-diamine Traditional Name: [4-(3-bromoanilino)pyrido[4,3-d]pyrimidin-7-yl]-(4-morpholinobutyl)amine Formula: C21H25BrN6O MolecularWeight: 457.3668

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCCNC2=NC=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br

Isomeric SMILES

C1COCCN1CCCCNC2=NC=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H25BrN6O/c22-16-4-3-5-17(12-16)27-21-18-14-24-20(13-19(18)25-15-26-21)23-6-1-2-7-28-8-10-29-11-9-28/h3-5,12-15H,1-2,6-11H2,(H,23,24)(H,25,26,27)