4-[[[5-methyl-2-(thiophen-2-ylmethylamino)pyrimidin-4-yl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[5-methyl-2-(thiophen-2-ylmethylamino)pyrimidin-4-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[5-methyl-2-(2-thienylmethylamino)pyrimidin-4-yl]amino]methyl]benzoic acid CAS Name: 4-[[[5-methyl-2-(thiophen-2-ylmethylamino)-4-pyrimidinyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[5-methyl-2-(thiophen-2-ylmethylamino)pyrimidin-4-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[5-methyl-2-(2-thenylamino)pyrimidin-4-yl]amino]methyl]benzoic acid Formula: C18H18N4O2S MolecularWeight: 354.42612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NCC2=CC=C(C=C2)C(=O)O)NCC3=CC=CS3

Isomeric SMILES

CC1=CN=C(N=C1NCC2=CC=C(C=C2)C(=O)O)NCC3=CC=CS3

InChI

InChI=1S/C18H18N4O2S/c1-12-9-20-18(21-11-15-3-2-8-25-15)22-16(12)19-10-13-4-6-14(7-5-13)17(23)24/h2-9H,10-11H2,1H3,(H,23,24)(H2,19,20,21,22)