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

Systemtic Name: 7-[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-propoxy-phenyl]-3-propyl-purine-2,6-dione Openeye Name: 7-[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-propoxy-phenyl]-3-propyl-purine-2,6-dione CAS Name: 7-[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-propoxyphenyl]-3-propylpurine-2,6-dione IUPAC Name: 7-[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-propoxyphenyl]-3-propylpurine-2,6-dione Traditional Name: 7-[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-propoxy-phenyl]-3-propyl-xanthine Formula: C23H32N6O5S MolecularWeight: 504.60238

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C=N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCCN(CC4)C)OCCC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C=N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCCN(CC4)C)OCCC

InChI

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