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

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-N4-(3-methoxyphenyl)pyrimidine-4,5-diamine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N4-(3-methoxyphenyl)pyrimidine-4,5-diamine CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-N4-(3-methoxyphenyl)pyrimidine-4,5-diamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-benzhydrylpiperazino)pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C28H30N6O MolecularWeight: 466.5774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=NC(=C2N)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=NC(=C2N)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N6O/c1-35-24-14-8-13-23(19-24)32-27-25(29)28(31-20-30-27)34-17-15-33(16-18-34)26(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19-20,26H,15-18,29H2,1H3,(H,30,31,32)