N-(4-methoxyphenyl)-6-methyl-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(4-methoxyphenyl)-6-methyl-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine Openeye Name: N-(4-methoxyphenyl)-6-methyl-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine CAS Name: N-(4-methoxyphenyl)-6-methyl-2-[4-(4-phenylphenyl)sulfonyl-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(4-methoxyphenyl)-6-methyl-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine Traditional Name: (4-methoxyphenyl)-[6-methyl-2-[4-(4-phenylphenyl)sulfonylpiperazino]pyrimidin-4-yl]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=CC=C(C=C3)C4=CC=CC=C4)NC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)NC5=CC=C(C=C5)OC

InChI

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