(phenylmethyl) 2-[(4-azanylquinazolin-6-yl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[(4-azanylquinazolin-6-yl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[(4-aminoquinazolin-6-yl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[(4-amino-6-quinazolinyl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-aminoquinazolin-6-yl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(4-aminoquinazolin-6-yl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)N=CN=C4N

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)N=CN=C4N

InChI

InChI=1S/C21H21N5O3/c22-19-16-11-15(8-9-17(16)23-13-24-19)25-20(27)18-7-4-10-26(18)21(28)29-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,18H,4,7,10,12H2,(H,25,27)(H2,22,23,24)