(phenylmethyl) 3-[(pteridin-4-ylamino)methyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[(pteridin-4-ylamino)methyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 3-[(pteridin-4-ylamino)methyl]pyrrolidine-1-carboxylate CAS Name: 3-[(4-pteridinylamino)methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(pteridin-4-ylamino)methyl]pyrrolidine-1-carboxylate Traditional Name: 3-[(pteridin-4-ylamino)methyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1CNC2=NC=NC3=NC=CN=C32)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC1CNC2=NC=NC3=NC=CN=C32)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C19H20N6O2/c26-19(27-12-14-4-2-1-3-5-14)25-9-6-15(11-25)10-22-18-16-17(23-13-24-18)21-8-7-20-16/h1-5,7-8,13,15H,6,9-12H2,(H,21,22,23,24)