8-[(3,4-dimethoxyphenyl)methyl]-3-propyl-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 8-[(3,4-dimethoxyphenyl)methyl]-3-propyl-6-sulfanylidene-7H-purin-2-one Openeye Name: 8-[(3,4-dimethoxyphenyl)methyl]-3-propyl-6-thioxo-7H-purin-2-one CAS Name: 8-[(3,4-dimethoxyphenyl)methyl]-3-propyl-6-sulfanylidene-7H-purin-2-one IUPAC Name: 8-[(3,4-dimethoxyphenyl)methyl]-3-propyl-6-sulfanylidene-7H-purin-2-one Traditional Name: 3-propyl-6-thioxo-8-veratryl-7H-purin-2-one Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=S)NC1=O)NC(=N2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCN1C2=C(C(=S)NC1=O)NC(=N2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C17H20N4O3S/c1-4-7-21-15-14(16(25)20-17(21)22)18-13(19-15)9-10-5-6-11(23-2)12(8-10)24-3/h5-6,8H,4,7,9H2,1-3H3,(H,18,19)(H,20,22,25)