ethyl 4-azanyl-2-[2-[[2-(2-methylpropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[[2-(2-methylpropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-(isobutylcarbamoyl)anilino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-[(2-methylpropylamino)-oxomethyl]anilino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[2-(isobutylcarbamoyl)anilino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25N5O4S MolecularWeight: 431.5086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=CC=C2C(=O)NCC(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=CC=C2C(=O)NCC(C)C

InChI

InChI=1S/C20H25N5O4S/c1-4-29-19(28)14-10-23-20(25-17(14)21)30-11-16(26)24-15-8-6-5-7-13(15)18(27)22-9-12(2)3/h5-8,10,12H,4,9,11H2,1-3H3,(H,22,27)(H,24,26)(H2,21,23,25)