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

Systemtic Name: 1-methyl-8-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-propyl-7H-purine-2,6-dione Openeye Name: 1-methyl-8-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-propyl-7H-purine-2,6-dione CAS Name: 1-methyl-8-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-3-propyl-7H-purine-2,6-dione IUPAC Name: 1-methyl-8-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propyl-7H-purine-2,6-dione Traditional Name: 1-methyl-8-[5-(4-methylpiperazino)sulfonyl-2-propoxy-phenyl]-3-propyl-7H-purine-2,6-quinone Formula: C23H32N6O5S MolecularWeight: 504.60238

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCCC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCCC

InChI

InChI=1S/C23H32N6O5S/c1-5-9-29-21-19(22(30)27(4)23(29)31)24-20(25-21)17-15-16(7-8-18(17)34-14-6-2)35(32,33)28-12-10-26(3)11-13-28/h7-8,15H,5-6,9-14H2,1-4H3,(H,24,25)