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

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-propan-2-yl-6-sulfanylidene-7H-purin-2-one Openeye Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-8-isopropyl-6-thioxo-7H-purin-2-one CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-propan-2-yl-6-sulfanylidene-7H-purin-2-one IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-propan-2-yl-6-sulfanylidene-7H-purin-2-one Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-benzyl]-8-isopropyl-6-thioxo-7H-purin-2-one Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1)C(=S)NC(=O)N2CC3=CC(=C(C=C3)OC)OC4CCCC4

Isomeric SMILES

CC(C)C1=NC2=C(N1)C(=S)NC(=O)N2CC3=CC(=C(C=C3)OC)OC4CCCC4

InChI

InChI=1S/C21H26N4O3S/c1-12(2)18-22-17-19(23-18)25(21(26)24-20(17)29)11-13-8-9-15(27-3)16(10-13)28-14-6-4-5-7-14/h8-10,12,14H,4-7,11H2,1-3H3,(H,22,23)(H,24,26,29)