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

Systemtic Name: methyl 3-[[2-azanyl-5-cyano-6-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-amino-5-cyano-6-(isopropylamino)pyrimidin-4-yl]amino]-4-methyl-benzoate CAS Name: 3-[[2-amino-5-cyano-6-(propan-2-ylamino)-4-pyrimidinyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-amino-5-cyano-6-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-methylbenzoate Traditional Name: 3-[[2-amino-5-cyano-6-(isopropylamino)pyrimidin-4-yl]amino]-4-methyl-benzoic acid methyl ester Formula: C17H20N6O2 MolecularWeight: 340.3797

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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)NC(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6O2/c1-9(2)20-14-12(8-18)15(23-17(19)22-14)21-13-7-11(16(24)25-4)6-5-10(13)3/h5-7,9H,1-4H3,(H4,19,20,21,22,23)