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

Systemtic Name: N4-(4-butylphenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: N4-(4-butylphenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine CAS Name: N4-(4-butylphenyl)-6-[4-(3-chlorophenyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 4-N-(4-butylphenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(3-chlorophenyl)piperazino]pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C24H29ClN6 MolecularWeight: 436.98026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN6/c1-2-3-5-18-8-10-20(11-9-18)29-23-22(26)24(28-17-27-23)31-14-12-30(13-15-31)21-7-4-6-19(25)16-21/h4,6-11,16-17H,2-3,5,12-15,26H2,1H3,(H,27,28,29)