(phenylmethyl) 2-[[2,4-bis(azanyl)quinazolin-6-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[2,4-bis(azanyl)quinazolin-6-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[(2,4-diaminoquinazolin-6-yl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[(2,4-diamino-6-quinazolinyl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2,4-diaminoquinazolin-6-yl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(2,4-diaminoquinazolin-6-yl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H22N6O3 MolecularWeight: 406.43778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O3/c22-18-15-11-14(8-9-16(15)25-20(23)26-18)24-19(28)17-7-4-10-27(17)21(29)30-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17H,4,7,10,12H2,(H,24,28)(H4,22,23,25,26)