2-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine

Systemtic Name: 2-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine Openeye Name: 2-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)piperazin-1-yl]-6-methyl-N-(p-tolyl)pyrimidin-4-amine CAS Name: 2-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)-1-piperazinyl]-6-methyl-N-(4-methylphenyl)-4-pyrimidinamine IUPAC Name: 2-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine Traditional Name: [2-(4-acenaphthen-3-ylsulfonylpiperazino)-6-methyl-pyrimidin-4-yl]-(p-tolyl)amine Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3CCN(CC3)S(=O)(=O)C4=C5CCC6=CC=CC(=C65)C=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3CCN(CC3)S(=O)(=O)C4=C5CCC6=CC=CC(=C65)C=C4

InChI

InChI=1S/C28H29N5O2S/c1-19-6-10-23(11-7-19)30-26-18-20(2)29-28(31-26)32-14-16-33(17-15-32)36(34,35)25-13-9-22-5-3-4-21-8-12-24(25)27(21)22/h3-7,9-11,13,18H,8,12,14-17H2,1-2H3,(H,29,30,31)