3-[[1-(6-azanylpyrimidin-4-yl)benzimidazol-2-yl]amino]-4-methyl-benzoic acid

Systemtic Name: 3-[[1-(6-azanylpyrimidin-4-yl)benzimidazol-2-yl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[1-(6-aminopyrimidin-4-yl)benzimidazol-2-yl]amino]-4-methyl-benzoic acid CAS Name: 3-[[1-(6-amino-4-pyrimidinyl)-2-benzimidazolyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[1-(6-aminopyrimidin-4-yl)benzimidazol-2-yl]amino]-4-methylbenzoic acid Traditional Name: 3-[[1-(6-aminopyrimidin-4-yl)benzimidazol-2-yl]amino]-4-methyl-benzoic acid Formula: C19H16N6O2 MolecularWeight: 360.36934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=NC3=CC=CC=C3N2C4=CC(=NC=N4)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=NC3=CC=CC=C3N2C4=CC(=NC=N4)N

InChI

InChI=1S/C19H16N6O2/c1-11-6-7-12(18(26)27)8-14(11)24-19-23-13-4-2-3-5-15(13)25(19)17-9-16(20)21-10-22-17/h2-10H,1H3,(H,23,24)(H,26,27)(H2,20,21,22)