N-methyl-N-(3-methylphenyl)-6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-methyl-N-(3-methylphenyl)-6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]pyrimidin-4-amine Openeye Name: N-methyl-N-(m-tolyl)-6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]pyrimidin-4-amine CAS Name: N-methyl-N-(3-methylphenyl)-6-[4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-methyl-N-(3-methylphenyl)-6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]pyrimidin-4-amine Traditional Name: methyl-(m-tolyl)-[6-[4-(3-phenoxybenzyl)piperazino]pyrimidin-4-yl]amine Formula: C29H31N5O MolecularWeight: 465.58934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C)C2=NC=NC(=C2)N3CCN(CC3)CC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N(C)C2=NC=NC(=C2)N3CCN(CC3)CC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H31N5O/c1-23-8-6-10-25(18-23)32(2)28-20-29(31-22-30-28)34-16-14-33(15-17-34)21-24-9-7-13-27(19-24)35-26-11-4-3-5-12-26/h3-13,18-20,22H,14-17,21H2,1-2H3