5-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-allyl-5-(3,4-dimethoxyphenyl)-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 5-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-4H-thiazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-(3,4-dimethoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-allyl-5-(3,4-dimethoxyphenyl)-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-7-one Formula: C16H15N3O3S2 MolecularWeight: 361.4386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=O)C3=C(N2)N(C(=S)S3)CC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=O)C3=C(N2)N(C(=S)S3)CC=C)OC

InChI

InChI=1S/C16H15N3O3S2/c1-4-7-19-14-12(24-16(19)23)15(20)18-13(17-14)9-5-6-10(21-2)11(8-9)22-3/h4-6,8H,1,7H2,2-3H3,(H,17,18,20)