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

Systemtic Name: 3-(cyclohexylmethyl)-8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-7H-purine-2,6-dione Openeye Name: 3-(cyclohexylmethyl)-8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-7H-purine-2,6-dione CAS Name: 3-(cyclohexylmethyl)-8-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-methyl-7H-purine-2,6-dione IUPAC Name: 3-(cyclohexylmethyl)-8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-7H-purine-2,6-dione Traditional Name: 3-(cyclohexylmethyl)-8-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-1-methyl-7H-purine-2,6-quinone Formula: C26H36N6O5S MolecularWeight: 544.66624

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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)N4CC5CCCCC5)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC4=C(N3)C(=O)N(C(=O)N4CC5CCCCC5)C

InChI

InChI=1S/C26H36N6O5S/c1-4-37-21-11-10-19(38(35,36)31-14-12-29(2)13-15-31)16-20(21)23-27-22-24(28-23)32(26(34)30(3)25(22)33)17-18-8-6-5-7-9-18/h10-11,16,18H,4-9,12-15,17H2,1-3H3,(H,27,28)