N4-(4-butylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine

Systemtic Name: N4-(4-butylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine Openeye Name: N4-(4-butylphenyl)-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine-4,5-diamine CAS Name: N4-(4-butylphenyl)-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 4-N-(4-butylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C23H29N7 MolecularWeight: 403.52326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H29N7/c1-2-3-6-18-8-10-19(11-9-18)28-22-21(24)23(27-17-26-22)30-15-13-29(14-16-30)20-7-4-5-12-25-20/h4-5,7-12,17H,2-3,6,13-16,24H2,1H3,(H,26,27,28)