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

Systemtic Name: methyl 4-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxo-ethyl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 4-[[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]thio]-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]sulfanyl-2-cyclopropyl-6-methylpyrimidine-5-carboxylate Traditional Name: 4-[[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-keto-ethyl]thio]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-11(14-6-7-15-16(8-14)29-10-28-15)22-17(25)9-30-20-18(21(26)27-3)12(2)23-19(24-20)13-4-5-13/h6-8,11,13H,4-5,9-10H2,1-3H3,(H,22,25)