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

Systemtic Name: 2-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)-6-methyl-pyrimidin-4-amine Openeye Name: 2-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)-6-methyl-pyrimidin-4-amine CAS Name: 2-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)-1-piperazinyl]-N-(4-methoxyphenyl)-6-methyl-4-pyrimidinamine IUPAC Name: 2-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine Traditional Name: [2-(4-acenaphthen-3-ylsulfonylpiperazino)-6-methyl-pyrimidin-4-yl]-(4-methoxyphenyl)amine Formula: C28H29N5O3S MolecularWeight: 515.62656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=C4CCC5=CC=CC(=C54)C=C3)NC6=CC=C(C=C6)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=C4CCC5=CC=CC(=C54)C=C3)NC6=CC=C(C=C6)OC

InChI

InChI=1S/C28H29N5O3S/c1-19-18-26(30-22-8-10-23(36-2)11-9-22)31-28(29-19)32-14-16-33(17-15-32)37(34,35)25-13-7-21-5-3-4-20-6-12-24(25)27(20)21/h3-5,7-11,13,18H,6,12,14-17H2,1-2H3,(H,29,30,31)