N-(4-azanylquinazolin-6-yl)-1-[3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylquinazolin-6-yl)-1-[3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminoquinazolin-6-yl)-1-[2-(benzylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: N-(4-amino-6-quinazolinyl)-1-[1-oxo-3-phenyl-2-[(phenylmethyl)sulfonylamino]propyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminoquinazolin-6-yl)-1-[2-(benzylsulfonylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-aminoquinazolin-6-yl)-1-[2-(benzylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Formula: C29H30N6O4S MolecularWeight: 558.6513

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)N=CN=C5N

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)N=CN=C5N

InChI

InChI=1S/C29H30N6O4S/c30-27-23-17-22(13-14-24(23)31-19-32-27)33-28(36)26-12-7-15-35(26)29(37)25(16-20-8-3-1-4-9-20)34-40(38,39)18-21-10-5-2-6-11-21/h1-6,8-11,13-14,17,19,25-26,34H,7,12,15-16,18H2,(H,33,36)(H2,30,31,32)