piperidin-3-yl N-[2-chloranyl-1-[(2-cyanophenyl)methyl]-6-oxidanylidene-7H-purin-8-yl]carbamate

Systemtic Name: piperidin-3-yl N-[2-chloranyl-1-[(2-cyanophenyl)methyl]-6-oxidanylidene-7H-purin-8-yl]carbamate Openeye Name: 3-piperidyl N-[2-chloro-1-[(2-cyanophenyl)methyl]-6-oxo-7H-purin-8-yl]carbamate CAS Name: N-[2-chloro-1-[(2-cyanophenyl)methyl]-6-oxo-7H-purin-8-yl]carbamic acid 3-piperidinyl ester IUPAC Name: piperidin-3-yl N-[2-chloro-1-[(2-cyanophenyl)methyl]-6-oxo-7H-purin-8-yl]carbamate Traditional Name: N-[2-chloro-1-(2-cyanobenzyl)-6-keto-7H-purin-8-yl]carbamic acid 3-piperidyl ester Formula: C19H18ClN7O3 MolecularWeight: 427.84432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)OC(=O)NC2=NC3=C(N2)C(=O)N(C(=N3)Cl)CC4=CC=CC=C4C#N

Isomeric SMILES

C1CC(CNC1)OC(=O)NC2=NC3=C(N2)C(=O)N(C(=N3)Cl)CC4=CC=CC=C4C#N

InChI

InChI=1S/C19H18ClN7O3/c20-17-24-15-14(16(28)27(17)10-12-5-2-1-4-11(12)8-21)23-18(25-15)26-19(29)30-13-6-3-7-22-9-13/h1-2,4-5,13,22H,3,6-7,9-10H2,(H2,23,25,26,29)