3-[[5-aminocarbonyl-2-(2-azanylethylamino)pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[5-aminocarbonyl-2-(2-azanylethylamino)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 3-[[2-(2-aminoethylamino)-5-carbamoyl-pyrimidin-4-yl]amino]benzoic acid CAS Name: 3-[[2-(2-aminoethylamino)-5-carbamoyl-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[[2-(2-aminoethylamino)-5-carbamoylpyrimidin-4-yl]amino]benzoic acid Traditional Name: 3-[[2-(2-aminoethylamino)-5-carbamoyl-pyrimidin-4-yl]amino]benzoic acid Formula: C14H16N6O3 MolecularWeight: 316.31524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=NC=C2C(=O)N)NCCN)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=NC=C2C(=O)N)NCCN)C(=O)O

InChI

InChI=1S/C14H16N6O3/c15-4-5-17-14-18-7-10(11(16)21)12(20-14)19-9-3-1-2-8(6-9)13(22)23/h1-3,6-7H,4-5,15H2,(H2,16,21)(H,22,23)(H2,17,18,19,20)