4-[2-[[3-(dimethylamino)phenyl]amino]-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[2-[[3-(dimethylamino)phenyl]amino]-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-[3-(dimethylamino)anilino]-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-[3-(dimethylamino)anilino]-5-methyl-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-[3-(dimethylamino)anilino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-[3-(dimethylamino)anilino]-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C18H19N5O2 MolecularWeight: 337.37576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3=CC(=CC=C3)N(C)C

Isomeric SMILES

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3=CC(=CC=C3)N(C)C

InChI

InChI=1S/C18H19N5O2/c1-11-9-20-18(21-13-5-4-6-14(8-13)23(2)3)22-16(11)12-7-15(17(24)25)19-10-12/h4-10,19H,1-3H3,(H,24,25)(H,20,21,22)