ethyl 4-azanyl-2-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C13H17N5O3S MolecularWeight: 323.37078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N(C)CCC#N

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N(C)CCC#N

InChI

InChI=1S/C13H17N5O3S/c1-3-21-12(20)9-7-16-13(17-11(9)15)22-8-10(19)18(2)6-4-5-14/h7H,3-4,6,8H2,1-2H3,(H2,15,16,17)