ethyl 2-[2-[(3-acetamido-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-azanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[2-[(3-acetamido-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-azanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-(3-acetamido-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-4-amino-pyrimidine-5-carboxylate CAS Name: 2-[[2-(3-acetamido-4-methylanilino)-2-oxoethyl]thio]-4-amino-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-acetamido-4-methylanilino)-2-oxoethyl]sulfanyl-4-aminopyrimidine-5-carboxylate Traditional Name: 2-[[2-(3-acetamido-4-methyl-anilino)-2-keto-ethyl]thio]-4-amino-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC(=C(C=C2)C)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC(=C(C=C2)C)NC(=O)C

InChI

InChI=1S/C18H21N5O4S/c1-4-27-17(26)13-8-20-18(23-16(13)19)28-9-15(25)22-12-6-5-10(2)14(7-12)21-11(3)24/h5-8H,4,9H2,1-3H3,(H,21,24)(H,22,25)(H2,19,20,23)