8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-dipropyl-2-sulfanylidene-7H-purin-6-one

Systemtic Name: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-dipropyl-2-sulfanylidene-7H-purin-6-one Openeye Name: 8-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1,3-dipropyl-2-thioxo-7H-purin-6-one CAS Name: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-dipropyl-2-sulfanylidene-7H-purin-6-one IUPAC Name: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-dipropyl-2-sulfanylidene-7H-purin-6-one Traditional Name: 8-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1,3-dipropyl-2-thioxo-7H-purin-6-one Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=S)CCC)NC(=N2)C=CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=S)CCC)NC(=N2)/C=C/C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H26N4O3S/c1-5-11-24-19-18(20(26)25(12-6-2)21(24)29)22-17(23-19)10-8-14-7-9-15(27-3)16(13-14)28-4/h7-10,13H,5-6,11-12H2,1-4H3,(H,22,23)/b10-8+