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

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(benzylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(benzylamino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C16H18N4O3S/c1-2-23-15(22)12-9-19-16(20-14(12)17)24-10-13(21)18-8-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H,18,21)(H2,17,19,20)