N4-(4-butylphenyl)-6-[4-(diphenylmethyl)piperazin-1-yl]pyrimidine-4,5-diamine

Systemtic Name: N4-(4-butylphenyl)-6-[4-(diphenylmethyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N4-(4-butylphenyl)pyrimidine-4,5-diamine CAS Name: N4-(4-butylphenyl)-6-[4-(diphenylmethyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-4-N-(4-butylphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-benzhydrylpiperazino)pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C31H36N6 MolecularWeight: 492.65774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H36N6/c1-2-3-10-24-15-17-27(18-16-24)35-30-28(32)31(34-23-33-30)37-21-19-36(20-22-37)29(25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-9,11-18,23,29H,2-3,10,19-22,32H2,1H3,(H,33,34,35)