(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 5-oxidanylidene-1-propan-2-yl-pyrrolidine-3-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 5-oxidanylidene-1-propan-2-yl-pyrrolidine-3-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-isopropyl-5-oxo-pyrrolidine-3-carboxylate CAS Name: 5-oxo-1-propan-2-yl-3-pyrrolidinecarboxylic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate Traditional Name: 1-isopropyl-5-keto-pyrrolidine-3-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC(CC1=O)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CC(C)N1CC(CC1=O)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C18H22N6O3/c1-11(2)24-9-12(8-15(24)25)16(26)27-10-14-21-17(19)23-18(22-14)20-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H3,19,20,21,22,23)