4-phenylsulfanyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylic acid

Systemtic Name: 4-phenylsulfanyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylic acid Openeye Name: 4-phenylsulfanyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylic acid CAS Name: 4-(phenylthio)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylic acid IUPAC Name: 4-phenylsulfanyl-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylic acid Traditional Name: 4-(phenylthio)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylic acid Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C2C=NC=CN2C1SC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(N=C2C=NC=CN2C1SC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C14H13N3O2S/c18-14(19)11-8-13(20-10-4-2-1-3-5-10)17-7-6-15-9-12(17)16-11/h1-7,9,11,13H,8H2,(H,18,19)