N2-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N4-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine

Systemtic Name: N2-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N4-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine Openeye Name: N2-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N4-(3-morpholinopropyl)pyrimidine-2,4-diamine CAS Name: N2-[3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N4-[3-(4-morpholinyl)propyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine Traditional Name: [2-[3-(4-methylpiperazino)sulfonylanilino]pyrimidin-4-yl]-(3-morpholinopropyl)amine Formula: C22H33N7O3S MolecularWeight: 475.60752

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC3=NC=CC(=N3)NCCCN4CCOCC4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC3=NC=CC(=N3)NCCCN4CCOCC4

InChI

InChI=1S/C22H33N7O3S/c1-27-10-12-29(13-11-27)33(30,31)20-5-2-4-19(18-20)25-22-24-8-6-21(26-22)23-7-3-9-28-14-16-32-17-15-28/h2,4-6,8,18H,3,7,9-17H2,1H3,(H2,23,24,25,26)