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4-[2-(2-acetamido-4-oxidanylidene-1H-pteridin-6-yl)ethyl-methyl-amino]benzoic acid

4-[2-(2-acetamido-4-oxidanylidene-1H-pteridin-6-yl)ethyl-methyl-amino]benzoic acid

Systemtic Name:4-[2-(2-acetamido-4-oxidanylidene-1H-pteridin-6-yl)ethyl-methyl-amino]benzoic acid
Openeye Name:4-[2-(2-acetamido-4-oxo-1H-pteridin-6-yl)ethyl-methyl-amino]benzoic acid
CAS Name:4-[2-(2-acetamido-4-oxo-1H-pteridin-6-yl)ethyl-methylamino]benzoic acid
IUPAC Name:4-[2-(2-acetamido-4-oxo-1H-pteridin-6-yl)ethyl-methylamino]benzoic acid
Traditional Name:4-[2-(2-acetamido-4-keto-1H-pteridin-6-yl)ethyl-methyl-amino]benzoic acid
Formula: C18H18N6O4
MolecularWeight: 382.37332
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=NC(=CN=C2N1)CCN(C)C3=CC=C(C=C3)C(=O)O


Isomeric SMILES

CC(=O)NC1=NC(=O)C2=NC(=CN=C2N1)CCN(C)C3=CC=C(C=C3)C(=O)O


InChI

InChI=1S/C18H18N6O4/c1-10(25)20-18-22-15-14(16(26)23-18)21-12(9-19-15)7-8-24(2)13-5-3-11(4-6-13)17(27)28/h3-6,9H,7-8H2,1-2H3,(H,27,28)(H2,19,20,22,23,25,26)


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