ethyl 4-azanyl-2-[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[(2-chlorobenzyl)amino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17ClN4O3S MolecularWeight: 380.84918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NCC2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NCC2=CC=CC=C2Cl

InChI

InChI=1S/C16H17ClN4O3S/c1-2-24-15(23)11-8-20-16(21-14(11)18)25-9-13(22)19-7-10-5-3-4-6-12(10)17/h3-6,8H,2,7,9H2,1H3,(H,19,22)(H2,18,20,21)