ethyl 4-azanyl-2-[2-(2,3-dimethylindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-(2,3-dimethylindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(2,3-dimethylindol-1-yl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(2,3-dimethyl-1-indolyl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(2,3-dimethylindol-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(2,3-dimethylindol-1-yl)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2C(=C(C3=CC=CC=C32)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2C(=C(C3=CC=CC=C32)C)C

InChI

InChI=1S/C19H20N4O3S/c1-4-26-18(25)14-9-21-19(22-17(14)20)27-10-16(24)23-12(3)11(2)13-7-5-6-8-15(13)23/h5-9H,4,10H2,1-3H3,(H2,20,21,22)