4-[2-(2,4-diacetamidopteridin-6-yl)ethyl-methyl-amino]benzoic acid

Systemtic Name: 4-[2-(2,4-diacetamidopteridin-6-yl)ethyl-methyl-amino]benzoic acid Openeye Name: 4-[2-(2,4-diacetamidopteridin-6-yl)ethyl-methyl-amino]benzoic acid CAS Name: 4-[2-(2,4-diacetamido-6-pteridinyl)ethyl-methylamino]benzoic acid IUPAC Name: 4-[2-(2,4-diacetamidopteridin-6-yl)ethyl-methylamino]benzoic acid Traditional Name: 4-[2-(2,4-diacetamidopteridin-6-yl)ethyl-methyl-amino]benzoic acid Formula: C20H21N7O4 MolecularWeight: 423.42524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=NC2=NC=C(N=C21)CCN(C)C3=CC=C(C=C3)C(=O)O)NC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=NC2=NC=C(N=C21)CCN(C)C3=CC=C(C=C3)C(=O)O)NC(=O)C

InChI

InChI=1S/C20H21N7O4/c1-11(28)22-18-16-17(25-20(26-18)23-12(2)29)21-10-14(24-16)8-9-27(3)15-6-4-13(5-7-15)19(30)31/h4-7,10H,8-9H2,1-3H3,(H,30,31)(H2,21,22,23,25,26,28,29)