4-[(3-methoxy-4-methyl-phenyl)amino]-5-methyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid

Systemtic Name: 4-[(3-methoxy-4-methyl-phenyl)amino]-5-methyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid Openeye Name: 4-(3-methoxy-4-methyl-anilino)-5-methyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid CAS Name: 4-(3-methoxy-4-methylanilino)-5-methyl-6-pyrrolo[2,1-f][1,2,4]triazinecarboxylic acid IUPAC Name: 4-(3-methoxy-4-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid Traditional Name: 4-(3-methoxy-4-methyl-anilino)-5-methyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=NN3C2=C(C(=C3)C(=O)O)C)OC

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=NN3C2=C(C(=C3)C(=O)O)C)OC

InChI

InChI=1S/C16H16N4O3/c1-9-4-5-11(6-13(9)23-3)19-15-14-10(2)12(16(21)22)7-20(14)18-8-17-15/h4-8H,1-3H3,(H,21,22)(H,17,18,19)