4-[(5,7-diacetamidopyrido[3,4-b]pyrazin-3-yl)methyl-methyl-amino]benzoic acid

Systemtic Name: 4-[(5,7-diacetamidopyrido[3,4-b]pyrazin-3-yl)methyl-methyl-amino]benzoic acid Openeye Name: 4-[(5,7-diacetamidopyrido[3,4-b]pyrazin-3-yl)methyl-methyl-amino]benzoic acid CAS Name: 4-[(5,7-diacetamido-3-pyrido[3,4-b]pyrazinyl)methyl-methylamino]benzoic acid IUPAC Name: 4-[(5,7-diacetamidopyrido[3,4-b]pyrazin-3-yl)methyl-methylamino]benzoic acid Traditional Name: 4-[(5,7-diacetamidopyrido[3,4-b]pyrazin-3-yl)methyl-methyl-amino]benzoic acid Formula: C20H20N6O4 MolecularWeight: 408.4106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=C2C(=C1)N=CC(=N2)CN(C)C3=CC=C(C=C3)C(=O)O)NC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=C2C(=C1)N=CC(=N2)CN(C)C3=CC=C(C=C3)C(=O)O)NC(=O)C

InChI

InChI=1S/C20H20N6O4/c1-11(27)22-17-8-16-18(19(25-17)23-12(2)28)24-14(9-21-16)10-26(3)15-6-4-13(5-7-15)20(29)30/h4-9H,10H2,1-3H3,(H,29,30)(H2,22,23,25,27,28)