tert-butyl 4-oxidanylidene-2-(7H-purin-6-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate

Systemtic Name: tert-butyl 4-oxidanylidene-2-(7H-purin-6-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate Openeye Name: tert-butyl 4-oxo-2-(7H-purin-6-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate CAS Name: 4-oxo-2-(7H-purin-6-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-oxo-2-(7H-purin-6-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate Traditional Name: 4-keto-2-(7H-purin-6-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester Formula: C17H18N6O3 MolecularWeight: 354.36322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1=O)C=C(N2)C3=C4C(=NC=N3)N=CN4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1=O)C=C(N2)C3=C4C(=NC=N3)N=CN4

InChI

InChI=1S/C17H18N6O3/c1-17(2,3)26-16(25)23-5-4-10-9(15(23)24)6-11(22-10)12-13-14(20-7-18-12)21-8-19-13/h6-8,22H,4-5H2,1-3H3,(H,18,19,20,21)