4-[5-methyl-2-[(phenylmethyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[5-methyl-2-[(phenylmethyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-(benzylamino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[5-methyl-2-[(phenylmethyl)amino]-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-(benzylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-(benzylamino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NCC3=CC=CC=C3

InChI

InChI=1S/C17H16N4O2/c1-11-8-19-17(20-9-12-5-3-2-4-6-12)21-15(11)13-7-14(16(22)23)18-10-13/h2-8,10,18H,9H2,1H3,(H,22,23)(H,19,20,21)