3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-pyrazol-1-ylpropyl)propanamide

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-pyrazol-1-ylpropyl)propanamide Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(3-pyrazol-1-ylpropyl)propanamide CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[3-(1-pyrazolyl)propyl]propanamide IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-pyrazol-1-ylpropyl)propanamide Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(3-pyrazol-1-ylpropyl)propionamide Formula: C16H21N7O3 MolecularWeight: 359.38304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NCCCN3C=CC=N3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NCCCN3C=CC=N3

InChI

InChI=1S/C16H21N7O3/c1-20-14-13(15(25)21(2)16(20)26)22(11-18-14)10-5-12(24)17-6-3-8-23-9-4-7-19-23/h4,7,9,11H,3,5-6,8,10H2,1-2H3,(H,17,24)