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

Systemtic Name: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropyl-2-sulfanylidene-purin-6-one Openeye Name: 8-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-7-methyl-1,3-dipropyl-2-thioxo-purin-6-one CAS Name: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropyl-2-sulfanylidene-6-purinone IUPAC Name: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropyl-2-sulfanylidenepurin-6-one Traditional Name: 8-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-7-methyl-1,3-dipropyl-2-thioxo-purin-6-one Formula: C22H28N4O3S MolecularWeight: 428.54772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3S/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)30)24(3)18(23-20)11-9-15-8-10-16(28-4)17(14-15)29-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+