9-cyclopentyl-7-methyl-2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]amino]purin-8-one

Systemtic Name: 9-cyclopentyl-7-methyl-2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]amino]purin-8-one Openeye Name: 9-cyclopentyl-7-methyl-2-[4-(4-methylpiperazin-1-yl)sulfonylanilino]purin-8-one CAS Name: 9-cyclopentyl-7-methyl-2-[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-8-purinone IUPAC Name: 9-cyclopentyl-7-methyl-2-[4-(4-methylpiperazin-1-yl)sulfonylanilino]purin-8-one Traditional Name: 9-cyclopentyl-7-methyl-2-[4-(4-methylpiperazino)sulfonylanilino]purin-8-one Formula: C22H29N7O3S MolecularWeight: 471.57576

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)N4C)C5CCCC5

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)N4C)C5CCCC5

InChI

InChI=1S/C22H29N7O3S/c1-26-11-13-28(14-12-26)33(31,32)18-9-7-16(8-10-18)24-21-23-15-19-20(25-21)29(22(30)27(19)2)17-5-3-4-6-17/h7-10,15,17H,3-6,11-14H2,1-2H3,(H,23,24,25)