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

Systemtic Name: methyl 3-[[2-azanyl-5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino]-4-methyl-benzoate CAS Name: 3-[[2-amino-5-cyano-6-(cyclopentylamino)-4-pyrimidinyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino]-4-methylbenzoate Traditional Name: 3-[[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino]-4-methyl-benzoic acid methyl ester Formula: C19H22N6O2 MolecularWeight: 366.41698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O2/c1-11-7-8-12(18(26)27-2)9-15(11)23-17-14(10-20)16(24-19(21)25-17)22-13-5-3-4-6-13/h7-9,13H,3-6H2,1-2H3,(H4,21,22,23,24,25)