N4-(2-ethylphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine

Systemtic Name: N4-(2-ethylphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: N4-(2-ethylphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine CAS Name: N4-(2-ethylphenyl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 4-N-(2-ethylphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-4-yl]-(2-ethylphenyl)amine Formula: C23H28N6O MolecularWeight: 404.50802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=NC(=C2N)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=NC(=C2N)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H28N6O/c1-3-17-6-4-5-7-20(17)27-22-21(24)23(26-16-25-22)29-14-12-28(13-15-29)18-8-10-19(30-2)11-9-18/h4-11,16H,3,12-15,24H2,1-2H3,(H,25,26,27)