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

Systemtic Name: 4-[(7-azanyl-5-oxidanylidene-6H-pyrido[3,4-b]pyrazin-3-yl)methyl-methyl-amino]benzoic acid Openeye Name: 4-[(7-amino-5-oxo-6H-pyrido[3,4-b]pyrazin-3-yl)methyl-methyl-amino]benzoic acid CAS Name: 4-[(7-amino-5-oxo-6H-pyrido[3,4-b]pyrazin-3-yl)methyl-methylamino]benzoic acid IUPAC Name: 4-[(7-amino-5-oxo-6H-pyrido[3,4-b]pyrazin-3-yl)methyl-methylamino]benzoic acid Traditional Name: 4-[(7-amino-5-keto-6H-pyrido[3,4-b]pyrazin-3-yl)methyl-methyl-amino]benzoic acid Formula: C16H15N5O3 MolecularWeight: 325.322

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C2C=C(NC(=O)C2=N1)N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN(CC1=CN=C2C=C(NC(=O)C2=N1)N)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H15N5O3/c1-21(11-4-2-9(3-5-11)16(23)24)8-10-7-18-12-6-13(17)20-15(22)14(12)19-10/h2-7H,8H2,1H3,(H,23,24)(H3,17,20,22)