4-[(7-azanyl-5-sulfanylidene-2,6-dihydro-1H-pyrido[3,4-b]pyrazin-3-yl)methyl-methyl-amino]benzoic acid

Systemtic Name: 4-[(7-azanyl-5-sulfanylidene-2,6-dihydro-1H-pyrido[3,4-b]pyrazin-3-yl)methyl-methyl-amino]benzoic acid Openeye Name: 4-[(7-amino-5-thioxo-2,6-dihydro-1H-pyrido[3,4-b]pyrazin-3-yl)methyl-methyl-amino]benzoic acid CAS Name: 4-[(7-amino-5-sulfanylidene-2,6-dihydro-1H-pyrido[3,4-b]pyrazin-3-yl)methyl-methylamino]benzoic acid IUPAC Name: 4-[(7-amino-5-sulfanylidene-2,6-dihydro-1H-pyrido[3,4-b]pyrazin-3-yl)methyl-methylamino]benzoic acid Traditional Name: 4-[(7-amino-5-thioxo-2,6-dihydro-1H-pyrido[3,4-b]pyrazin-3-yl)methyl-methyl-amino]benzoic acid Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=C(C=C(NC2=S)N)NC1)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN(CC1=NC2=C(C=C(NC2=S)N)NC1)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H17N5O2S/c1-21(11-4-2-9(3-5-11)16(22)23)8-10-7-18-12-6-13(17)20-15(24)14(12)19-10/h2-6,18H,7-8H2,1H3,(H,22,23)(H3,17,20,24)