4-[[azanyl-[(4,6-dimethyl-2H-pyrimidin-1-yl)amino]methylidene]amino]benzoic acid

Systemtic Name: 4-[[azanyl-[(4,6-dimethyl-2H-pyrimidin-1-yl)amino]methylidene]amino]benzoic acid Openeye Name: 4-[[amino-[(4,6-dimethyl-2H-pyrimidin-1-yl)amino]methylene]amino]benzoic acid CAS Name: 4-[[amino-[(4,6-dimethyl-2H-pyrimidin-1-yl)amino]methylidene]amino]benzoic acid IUPAC Name: 4-[[amino-[(4,6-dimethyl-2H-pyrimidin-1-yl)amino]methylidene]amino]benzoic acid Traditional Name: 4-[[amino-[(4,6-dimethyl-2H-pyrimidin-1-yl)amino]methylene]amino]benzoic acid Formula: C14H17N5O2 MolecularWeight: 287.31708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NCN1NC(=NC2=CC=C(C=C2)C(=O)O)N)C

Isomeric SMILES

CC1=CC(=NCN1NC(=NC2=CC=C(C=C2)C(=O)O)N)C

InChI

InChI=1S/C14H17N5O2/c1-9-7-10(2)19(8-16-9)18-14(15)17-12-5-3-11(4-6-12)13(20)21/h3-7H,8H2,1-2H3,(H,20,21)(H3,15,17,18)