2-azanyl-4-(phenylmethylsulfanyl)-7H-pyrimido[4,5-b][1,4]thiazine-6-carboxylic acid

Systemtic Name: 2-azanyl-4-(phenylmethylsulfanyl)-7H-pyrimido[4,5-b][1,4]thiazine-6-carboxylic acid Openeye Name: 2-amino-4-benzylsulfanyl-7H-pyrimido[4,5-b][1,4]thiazine-6-carboxylic acid CAS Name: 2-amino-4-(phenylmethylthio)-7H-pyrimido[4,5-b][1,4]thiazine-6-carboxylic acid IUPAC Name: 2-amino-4-benzylsulfanyl-7H-pyrimido[4,5-b][1,4]thiazine-6-carboxylic acid Traditional Name: 2-amino-4-(benzylthio)-7H-pyrimido[4,5-b][1,4]thiazine-6-carboxylic acid Formula: C14H12N4O2S2 MolecularWeight: 332.40068

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(S1)N=C(N=C2SCC3=CC=CC=C3)N)C(=O)O

Isomeric SMILES

C1C(=NC2=C(S1)N=C(N=C2SCC3=CC=CC=C3)N)C(=O)O

InChI

InChI=1S/C14H12N4O2S2/c15-14-17-11(21-6-8-4-2-1-3-5-8)10-12(18-14)22-7-9(16-10)13(19)20/h1-5H,6-7H2,(H,19,20)(H2,15,17,18)