4-[[5-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-amino-6-(3-methoxyanilino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-amino-6-(m-anisidino)pyrimidin-4-yl]amino]benzoic acid Formula: C18H17N5O3 MolecularWeight: 351.35928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H17N5O3/c1-26-14-4-2-3-13(9-14)23-17-15(19)16(20-10-21-17)22-12-7-5-11(6-8-12)18(24)25/h2-10H,19H2,1H3,(H,24,25)(H2,20,21,22,23)