[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-propan-2-ylquinoline-4-carboxylate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C19H22N6O2 MolecularWeight: 366.41698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC3=NC(=NC(=N3)N(C)C)N

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC3=NC(=NC(=N3)N(C)C)N

InChI

InChI=1S/C19H22N6O2/c1-11(2)15-9-13(12-7-5-6-8-14(12)21-15)17(26)27-10-16-22-18(20)24-19(23-16)25(3)4/h5-9,11H,10H2,1-4H3,(H2,20,22,23,24)