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

Systemtic Name: 8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-[(4-methoxyphenyl)methyl]-1-methyl-7H-purine-2,6-dione Openeye Name: 8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-[(4-methoxyphenyl)methyl]-1-methyl-7H-purine-2,6-dione CAS Name: 8-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3-[(4-methoxyphenyl)methyl]-1-methyl-7H-purine-2,6-dione IUPAC Name: 8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-[(4-methoxyphenyl)methyl]-1-methyl-7H-purine-2,6-dione Traditional Name: 8-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-1-methyl-3-p-anisyl-7H-purine-2,6-quinone Formula: C27H32N6O6S MolecularWeight: 568.64458

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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)N(C(=O)N4CC5=CC=C(C=C5)OC)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC4=C(N3)C(=O)N(C(=O)N4CC5=CC=C(C=C5)OC)C

InChI

InChI=1S/C27H32N6O6S/c1-5-39-22-11-10-20(40(36,37)32-14-12-30(2)13-15-32)16-21(22)24-28-23-25(29-24)33(27(35)31(3)26(23)34)17-18-6-8-19(38-4)9-7-18/h6-11,16H,5,12-15,17H2,1-4H3,(H,28,29)