4-azanyl-N-[(4-chlorophenyl)methyl]-1-(8-oxidanylidene-7,9-dihydropurin-6-yl)piperidine-4-carboxamide

Systemtic Name: 4-azanyl-N-[(4-chlorophenyl)methyl]-1-(8-oxidanylidene-7,9-dihydropurin-6-yl)piperidine-4-carboxamide Openeye Name: 4-amino-N-[(4-chlorophenyl)methyl]-1-(8-oxo-7,9-dihydropurin-6-yl)piperidine-4-carboxamide CAS Name: 4-amino-N-[(4-chlorophenyl)methyl]-1-(8-oxo-7,9-dihydropurin-6-yl)-4-piperidinecarboxamide IUPAC Name: 4-amino-N-[(4-chlorophenyl)methyl]-1-(8-oxo-7,9-dihydropurin-6-yl)piperidine-4-carboxamide Traditional Name: 4-amino-N-(4-chlorobenzyl)-1-(8-keto-7,9-dihydropurin-6-yl)isonipecotamide Formula: C18H20ClN7O2 MolecularWeight: 401.8501

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)NCC2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3NC(=O)N4

Isomeric SMILES

C1CN(CCC1(C(=O)NCC2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3NC(=O)N4

InChI

InChI=1S/C18H20ClN7O2/c19-12-3-1-11(2-4-12)9-21-16(27)18(20)5-7-26(8-6-18)15-13-14(22-10-23-15)25-17(28)24-13/h1-4,10H,5-9,20H2,(H,21,27)(H2,22,23,24,25,28)