9-[methyl(3-phenylpropyl)amino]-2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-3H-purin-6-one

Systemtic Name: 9-[methyl(3-phenylpropyl)amino]-2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-3H-purin-6-one Openeye Name: 9-[methyl(3-phenylpropyl)amino]-2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-3H-purin-6-one CAS Name: 9-[methyl(3-phenylpropyl)amino]-2-[[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]methyl]-3H-purin-6-one IUPAC Name: 9-[methyl(3-phenylpropyl)amino]-2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-3H-purin-6-one Traditional Name: 9-[methyl(3-phenylpropyl)amino]-2-[4-(4-methylpiperazino)sulfonylbenzyl]-3H-purin-6-one Formula: C27H33N7O3S MolecularWeight: 535.66102

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC3=NC(=O)C4=C(N3)N(C=N4)N(C)CCCC5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC3=NC(=O)C4=C(N3)N(C=N4)N(C)CCCC5=CC=CC=C5

InChI

InChI=1S/C27H33N7O3S/c1-31-15-17-33(18-16-31)38(36,37)23-12-10-22(11-13-23)19-24-29-26-25(27(35)30-24)28-20-34(26)32(2)14-6-9-21-7-4-3-5-8-21/h3-5,7-8,10-13,20H,6,9,14-19H2,1-2H3,(H,29,30,35)