6-[[4-(2-acetamidoethylamino)-5-nitro-pyrimidin-2-yl]amino]naphthalene-1-carboxylic acid

Systemtic Name: 6-[[4-(2-acetamidoethylamino)-5-nitro-pyrimidin-2-yl]amino]naphthalene-1-carboxylic acid Openeye Name: 6-[[4-(2-acetamidoethylamino)-5-nitro-pyrimidin-2-yl]amino]naphthalene-1-carboxylic acid CAS Name: 6-[[4-(2-acetamidoethylamino)-5-nitro-2-pyrimidinyl]amino]-1-naphthalenecarboxylic acid IUPAC Name: 6-[[4-(2-acetamidoethylamino)-5-nitropyrimidin-2-yl]amino]naphthalene-1-carboxylic acid Traditional Name: 6-[[4-(2-acetamidoethylamino)-5-nitro-pyrimidin-2-yl]amino]-1-naphthoic acid Formula: C19H18N6O5 MolecularWeight: 410.38342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC3=C(C=C2)C(=CC=C3)C(=O)O

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC3=C(C=C2)C(=CC=C3)C(=O)O

InChI

InChI=1S/C19H18N6O5/c1-11(26)20-7-8-21-17-16(25(29)30)10-22-19(24-17)23-13-5-6-14-12(9-13)3-2-4-15(14)18(27)28/h2-6,9-10H,7-8H2,1H3,(H,20,26)(H,27,28)(H2,21,22,23,24)