8-(4-cyclopentyloxy-3-methoxy-phenyl)-3-methyl-1-propyl-7H-purine-2,6-dione

Systemtic Name: 8-(4-cyclopentyloxy-3-methoxy-phenyl)-3-methyl-1-propyl-7H-purine-2,6-dione Openeye Name: 8-[4-(cyclopentoxy)-3-methoxy-phenyl]-3-methyl-1-propyl-7H-purine-2,6-dione CAS Name: 8-(4-cyclopentyloxy-3-methoxyphenyl)-3-methyl-1-propyl-7H-purine-2,6-dione IUPAC Name: 8-(4-cyclopentyloxy-3-methoxyphenyl)-3-methyl-1-propyl-7H-purine-2,6-dione Traditional Name: 8-[4-(cyclopentoxy)-3-methoxy-phenyl]-3-methyl-1-propyl-7H-purine-2,6-quinone Formula: C21H26N4O4 MolecularWeight: 398.45554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3=CC(=C(C=C3)OC4CCCC4)OC)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3=CC(=C(C=C3)OC4CCCC4)OC)N(C1=O)C

InChI

InChI=1S/C21H26N4O4/c1-4-11-25-20(26)17-19(24(2)21(25)27)23-18(22-17)13-9-10-15(16(12-13)28-3)29-14-7-5-6-8-14/h9-10,12,14H,4-8,11H2,1-3H3,(H,22,23)