N4-(4-butylphenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine

Systemtic Name: N4-(4-butylphenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: N4-(4-butylphenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine CAS Name: N4-(4-butylphenyl)-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 4-N-(4-butylphenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(2,3-dimethylphenyl)piperazino]pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C26H34N6 MolecularWeight: 430.58836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C26H34N6/c1-4-5-8-21-10-12-22(13-11-21)30-25-24(27)26(29-18-28-25)32-16-14-31(15-17-32)23-9-6-7-19(2)20(23)3/h6-7,9-13,18H,4-5,8,14-17,27H2,1-3H3,(H,28,29,30)