ethyl 4-azanyl-2-(naphthalen-1-ylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(naphthalen-1-ylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(1-naphthylmethylsulfanyl)pyrimidine-5-carboxylate CAS Name: 4-amino-2-(1-naphthalenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(naphthalen-1-ylmethylsulfanyl)pyrimidine-5-carboxylate Traditional Name: 4-amino-2-(1-naphthylmethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C18H17N3O2S/c1-2-23-17(22)15-10-20-18(21-16(15)19)24-11-13-8-5-7-12-6-3-4-9-14(12)13/h3-10H,2,11H2,1H3,(H2,19,20,21)