ethyl 4-azanyl-2-[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H19N5O3S MolecularWeight: 349.40806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC(C)(C#N)C2CC2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC(C)(C#N)C2CC2

InChI

InChI=1S/C15H19N5O3S/c1-3-23-13(22)10-6-18-14(19-12(10)17)24-7-11(21)20-15(2,8-16)9-4-5-9/h6,9H,3-5,7H2,1-2H3,(H,20,21)(H2,17,18,19)