1-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]piperidine-4-carboxamide

Systemtic Name: 1-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]piperidine-4-carboxamide Openeye Name: 1-(7-benzyl-3-methyl-2,6-dioxo-purin-8-yl)piperidine-4-carboxamide CAS Name: 1-[3-methyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]-4-piperidinecarboxamide IUPAC Name: 1-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperidine-4-carboxamide Traditional Name: 1-(7-benzyl-2,6-diketo-3-methyl-purin-8-yl)isonipecotamide Formula: C19H22N6O3 MolecularWeight: 382.41638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)C(=O)N)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)C(=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C19H22N6O3/c1-23-16-14(17(27)22-19(23)28)25(11-12-5-3-2-4-6-12)18(21-16)24-9-7-13(8-10-24)15(20)26/h2-6,13H,7-11H2,1H3,(H2,20,26)(H,22,27,28)