3-[[2-azanyl-5-cyano-6-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-methyl-benzoic acid

Systemtic Name: 3-[[2-azanyl-5-cyano-6-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[2-amino-5-cyano-6-(isopropylamino)pyrimidin-4-yl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-amino-5-cyano-6-(propan-2-ylamino)-4-pyrimidinyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-amino-5-cyano-6-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-amino-5-cyano-6-(isopropylamino)pyrimidin-4-yl]amino]-4-methyl-benzoic acid Formula: C16H18N6O2 MolecularWeight: 326.35312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=C(C(=NC(=N2)N)NC(C)C)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=C(C(=NC(=N2)N)NC(C)C)C#N

InChI

InChI=1S/C16H18N6O2/c1-8(2)19-13-11(7-17)14(22-16(18)21-13)20-12-6-10(15(23)24)5-4-9(12)3/h4-6,8H,1-3H3,(H,23,24)(H4,18,19,20,21,22)