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

Systemtic Name: 3-[[2-azanyl-5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-amino-5-cyano-6-(cyclopentylamino)-4-pyrimidinyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino]-4-methyl-benzoic acid Formula: C18H20N6O2 MolecularWeight: 352.3904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=C(C(=NC(=N2)N)NC3CCCC3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=C(C(=NC(=N2)N)NC3CCCC3)C#N

InChI

InChI=1S/C18H20N6O2/c1-10-6-7-11(17(25)26)8-14(10)22-16-13(9-19)15(23-18(20)24-16)21-12-4-2-3-5-12/h6-8,12H,2-5H2,1H3,(H,25,26)(H4,20,21,22,23,24)