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

Systemtic Name: 8-[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-propoxy-phenyl]-3-propyl-7H-purine-2,6-dione Openeye Name: 8-[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-propoxy-phenyl]-3-propyl-7H-purine-2,6-dione CAS Name: 8-[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-propoxyphenyl]-3-propyl-7H-purine-2,6-dione IUPAC Name: 8-[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-propoxyphenyl]-3-propyl-7H-purine-2,6-dione Traditional Name: 8-[5-[(4-methyl-1,4-diazepan-1-yl)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)NC1=O)NC(=N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCCN(CC4)C)OCCC

Isomeric SMILES

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

InChI

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