methyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 4-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-2-cyclopropyl-6-methylpyrimidine-5-carboxylate Traditional Name: 4-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C19H19N3O5S/c1-10-16(19(24)25-2)18(22-17(20-10)11-3-4-11)28-8-15(23)21-12-5-6-13-14(7-12)27-9-26-13/h5-7,11H,3-4,8-9H2,1-2H3,(H,21,23)