ethyl 4-[(3-azanyl-2-benzamido-3-oxidanylidene-propyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(3-azanyl-2-benzamido-3-oxidanylidene-propyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(3-amino-2-benzamido-3-oxo-propyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[(3-amino-2-benzamido-3-oxopropyl)amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-amino-2-benzamido-3-oxopropyl)amino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[(3-amino-2-benzamido-3-keto-propyl)amino]-2-(methylthio)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=C1NCC(C(=O)N)NC(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCC(C(=O)N)NC(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C18H21N5O4S/c1-3-27-17(26)12-9-21-18(28-2)23-15(12)20-10-13(14(19)24)22-16(25)11-7-5-4-6-8-11/h4-9,13H,3,10H2,1-2H3,(H2,19,24)(H,22,25)(H,20,21,23)