1-[2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoyl]-N-phenyl-pyrrolidine-2-carboxamide

Systemtic Name: 1-[2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoyl]-N-phenyl-pyrrolidine-2-carboxamide Openeye Name: 1-[2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetyl]-N-phenyl-pyrrolidine-2-carboxamide CAS Name: 1-[2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-1-oxoethyl]-N-phenyl-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]-N-phenylpyrrolidine-2-carboxamide Traditional Name: 1-[2-(2,6-diketo-3,7-dimethyl-purin-1-yl)acetyl]-N-phenyl-pyrrolidine-2-carboxamide Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCCC3C(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCCC3C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H22N6O4/c1-23-12-21-17-16(23)19(29)26(20(30)24(17)2)11-15(27)25-10-6-9-14(25)18(28)22-13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,22,28)