ethyl 4-phenylsulfanyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylate

Systemtic Name: ethyl 4-phenylsulfanyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylate Openeye Name: ethyl 4-phenylsulfanyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylate CAS Name: 4-(phenylthio)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-phenylsulfanyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylate Traditional Name: 4-(phenylthio)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylic acid ethyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N2C=CN=CC2=N1)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CC(N2C=CN=CC2=N1)SC3=CC=CC=C3

InChI

InChI=1S/C16H17N3O2S/c1-2-21-16(20)13-10-15(22-12-6-4-3-5-7-12)19-9-8-17-11-14(19)18-13/h3-9,11,13,15H,2,10H2,1H3