ethyl 4-azanyl-2-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(2-naphthyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(2-naphthalenyl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(2-naphthalen-2-yl-2-oxoethyl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(2-naphthyl)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H17N3O3S MolecularWeight: 367.42158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H17N3O3S/c1-2-25-18(24)15-10-21-19(22-17(15)20)26-11-16(23)14-8-7-12-5-3-4-6-13(12)9-14/h3-10H,2,11H2,1H3,(H2,20,21,22)