1,3-diethyl-8-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-diethyl-8-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-7H-purine-2,6-dione Openeye Name: 1,3-diethyl-8-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-7H-purine-2,6-dione CAS Name: 1,3-diethyl-8-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-7H-purine-2,6-dione IUPAC Name: 1,3-diethyl-8-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-7H-purine-2,6-dione Traditional Name: 1,3-diethyl-8-[4-(4-methylpiperazino)sulfonylphenyl]-7H-purine-2,6-quinone Formula: C20H26N6O4S MolecularWeight: 446.52324

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C20H26N6O4S/c1-4-25-18-16(19(27)26(5-2)20(25)28)21-17(22-18)14-6-8-15(9-7-14)31(29,30)24-12-10-23(3)11-13-24/h6-9H,4-5,10-13H2,1-3H3,(H,21,22)