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

Systemtic Name: 8-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-1-methyl-3-propyl-7H-purine-2,6-dione Openeye Name: 8-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-1-methyl-3-propyl-7H-purine-2,6-dione CAS Name: 8-[5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]-2-propoxyphenyl]-1-methyl-3-propyl-7H-purine-2,6-dione IUPAC Name: 8-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-1-methyl-3-propyl-7H-purine-2,6-dione Traditional Name: 8-[5-[4-(2-hydroxyethyl)piperazino]sulfonyl-2-propoxy-phenyl]-1-methyl-3-propyl-7H-purine-2,6-quinone Formula: C24H34N6O6S MolecularWeight: 534.62836

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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)CCO)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C24H34N6O6S/c1-4-8-30-22-20(23(32)27(3)24(30)33)25-21(26-22)18-16-17(6-7-19(18)36-15-5-2)37(34,35)29-11-9-28(10-12-29)13-14-31/h6-7,16,31H,4-5,8-15H2,1-3H3,(H,25,26)