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

Systemtic Name: 1-methyl-8-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 3-isobutyl-1-methyl-8-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-7H-purine-2,6-dione CAS Name: 1-methyl-8-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 1-methyl-8-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 3-isobutyl-1-methyl-8-[5-(4-methylpiperazino)sulfonyl-2-propoxy-phenyl]-7H-purine-2,6-quinone Formula: C24H34N6O5S MolecularWeight: 518.62896

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC4=C(N3)C(=O)N(C(=O)N4CC(C)C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC4=C(N3)C(=O)N(C(=O)N4CC(C)C)C

InChI

InChI=1S/C24H34N6O5S/c1-6-13-35-19-8-7-17(36(33,34)29-11-9-27(4)10-12-29)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(32)28(5)23(20)31/h7-8,14,16H,6,9-13,15H2,1-5H3,(H,25,26)