3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-1-ethyl-8-propan-2-yl-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-1-ethyl-8-propan-2-yl-6-sulfanylidene-7H-purin-2-one Openeye Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-1-ethyl-8-isopropyl-6-thioxo-7H-purin-2-one CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-ethyl-8-propan-2-yl-6-sulfanylidene-7H-purin-2-one IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-ethyl-8-propan-2-yl-6-sulfanylidene-7H-purin-2-one Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-benzyl]-1-ethyl-8-isopropyl-6-thioxo-7H-purin-2-one Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=S)C2=C(N=C(N2)C(C)C)N(C1=O)CC3=CC(=C(C=C3)OC)OC4CCCC4

Isomeric SMILES

CCN1C(=S)C2=C(N=C(N2)C(C)C)N(C1=O)CC3=CC(=C(C=C3)OC)OC4CCCC4

InChI

InChI=1S/C23H30N4O3S/c1-5-26-22(31)19-21(25-20(24-19)14(2)3)27(23(26)28)13-15-10-11-17(29-4)18(12-15)30-16-8-6-7-9-16/h10-12,14,16H,5-9,13H2,1-4H3,(H,24,25)