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

Systemtic Name: ethyl 4-azanyl-2-[2-[(4-bromanylnaphthalen-1-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[(4-bromo-1-naphthyl)amino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[(4-bromo-1-naphthalenyl)amino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[(4-bromonaphthalen-1-yl)amino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[(4-bromo-1-naphthyl)amino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H17BrN4O3S MolecularWeight: 461.33228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=C(C3=CC=CC=C32)Br

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=C(C3=CC=CC=C32)Br

InChI

InChI=1S/C19H17BrN4O3S/c1-2-27-18(26)13-9-22-19(24-17(13)21)28-10-16(25)23-15-8-7-14(20)11-5-3-4-6-12(11)15/h3-9H,2,10H2,1H3,(H,23,25)(H2,21,22,24)