8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-7H-purine-2,6-dione

Systemtic Name: 8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-7H-purine-2,6-dione Openeye Name: 8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-7H-purine-2,6-dione CAS Name: 8-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-methyl-7H-purine-2,6-dione Traditional Name: 8-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-3-methyl-7H-purine-2,6-quinone Formula: C19H24N6O5S MolecularWeight: 448.49606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC4=C(N3)C(=O)NC(=O)N4C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC4=C(N3)C(=O)NC(=O)N4C

InChI

InChI=1S/C19H24N6O5S/c1-4-30-14-6-5-12(31(28,29)25-9-7-23(2)8-10-25)11-13(14)16-20-15-17(21-16)24(3)19(27)22-18(15)26/h5-6,11H,4,7-10H2,1-3H3,(H,20,21)(H,22,26,27)