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

Systemtic Name: 3-(cyclopropylmethyl)-8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-7H-purine-2,6-dione Openeye Name: 3-(cyclopropylmethyl)-8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-7H-purine-2,6-dione CAS Name: 3-(cyclopropylmethyl)-8-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-methyl-7H-purine-2,6-dione IUPAC Name: 3-(cyclopropylmethyl)-8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-7H-purine-2,6-dione Traditional Name: 3-(cyclopropylmethyl)-8-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-1-methyl-7H-purine-2,6-quinone Formula: C23H30N6O5S MolecularWeight: 502.5865

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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)N4CC5CC5)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC4=C(N3)C(=O)N(C(=O)N4CC5CC5)C

InChI

InChI=1S/C23H30N6O5S/c1-4-34-18-8-7-16(35(32,33)28-11-9-26(2)10-12-28)13-17(18)20-24-19-21(25-20)29(14-15-5-6-15)23(31)27(3)22(19)30/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,24,25)