3-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoylamino]-N-[(2-oxidanylidenepyrrolidin-1-yl)methyl]propanamide

Systemtic Name: 3-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoylamino]-N-[(2-oxidanylidenepyrrolidin-1-yl)methyl]propanamide Openeye Name: 3-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]-N-[(2-oxopyrrolidin-1-yl)methyl]propanamide CAS Name: 3-[[3-(2-amino-6-oxo-3H-purin-9-yl)-1-oxopropyl]amino]-N-[(2-oxo-1-pyrrolidinyl)methyl]propanamide IUPAC Name: 3-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]-N-[(2-oxopyrrolidin-1-yl)methyl]propanamide Traditional Name: 3-[3-(2-amino-6-keto-3H-purin-9-yl)propanoylamino]-N-[(2-ketopyrrolidino)methyl]propionamide Formula: C16H22N8O4 MolecularWeight: 390.39708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CNC(=O)CCNC(=O)CCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1CC(=O)N(C1)CNC(=O)CCNC(=O)CCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C16H22N8O4/c17-16-21-14-13(15(28)22-16)20-9-24(14)7-4-11(26)18-5-3-10(25)19-8-23-6-1-2-12(23)27/h9H,1-8H2,(H,18,26)(H,19,25)(H3,17,21,22,28)