N4-(3-bromophenyl)-N6-[3-[methyl(piperazin-1-yl)amino]propyl]pyrido[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-bromophenyl)-N6-[3-[methyl(piperazin-1-yl)amino]propyl]pyrido[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-bromophenyl)-N6-[3-[methyl(piperazin-1-yl)amino]propyl]pyrido[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-bromophenyl)-N6-[3-[methyl(1-piperazinyl)amino]propyl]pyrido[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-N-[3-[methyl(piperazin-1-yl)amino]propyl]pyrido[3,4-d]pyrimidine-4,6-diamine Traditional Name: 3-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]propyl-methyl-piperazino-amine Formula: C21H27BrN8 MolecularWeight: 471.39668

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC1=NC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)N4CCNCC4

Isomeric SMILES

CN(CCCNC1=NC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)N4CCNCC4

InChI

InChI=1S/C21H27BrN8/c1-29(30-10-7-23-8-11-30)9-3-6-24-20-13-18-19(14-25-20)26-15-27-21(18)28-17-5-2-4-16(22)12-17/h2,4-5,12-15,23H,3,6-11H2,1H3,(H,24,25)(H,26,27,28)