N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-[4-(phenethylamino)phenyl]pyrimidin-2-amine

Systemtic Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-[4-(phenethylamino)phenyl]pyrimidin-2-amine Openeye Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-[4-(phenethylamino)phenyl]pyrimidin-2-amine CAS Name: N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-4-[4-(phenethylamino)phenyl]-2-pyrimidinamine IUPAC Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-[4-(phenethylamino)phenyl]pyrimidin-2-amine Traditional Name: [4-[2-[4-(4-methylpiperazino)sulfonylanilino]pyrimidin-4-yl]phenyl]-phenethyl-amine Formula: C29H32N6O2S MolecularWeight: 528.66838

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)NCCC5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)NCCC5=CC=CC=C5

InChI

InChI=1S/C29H32N6O2S/c1-34-19-21-35(22-20-34)38(36,37)27-13-11-26(12-14-27)32-29-31-18-16-28(33-29)24-7-9-25(10-8-24)30-17-15-23-5-3-2-4-6-23/h2-14,16,18,30H,15,17,19-22H2,1H3,(H,31,32,33)