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

Systemtic Name: N4-(4-butylphenyl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N4-(4-butylphenyl)pyrimidine-4,5-diamine CAS Name: N4-(4-butylphenyl)-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-4-N-(4-butylphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-benzylpiperazino)pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C25H32N6 MolecularWeight: 416.56178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H32N6/c1-2-3-7-20-10-12-22(13-11-20)29-24-23(26)25(28-19-27-24)31-16-14-30(15-17-31)18-21-8-5-4-6-9-21/h4-6,8-13,19H,2-3,7,14-18,26H2,1H3,(H,27,28,29)