3-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-8-piperidin-1-yl-purin-1-yl]propanenitrile

Systemtic Name: 3-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-8-piperidin-1-yl-purin-1-yl]propanenitrile Openeye Name: 3-[7-benzyl-3-methyl-2,6-dioxo-8-(1-piperidyl)purin-1-yl]propanenitrile CAS Name: 3-[3-methyl-2,6-dioxo-7-(phenylmethyl)-8-(1-piperidinyl)-1-purinyl]propanenitrile IUPAC Name: 3-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)propanenitrile Traditional Name: 3-(7-benzyl-2,6-diketo-3-methyl-8-piperidino-purin-1-yl)propionitrile Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCC#N)N(C(=N2)N3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCC#N)N(C(=N2)N3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N6O2/c1-24-18-17(19(28)26(21(24)29)14-8-11-22)27(15-16-9-4-2-5-10-16)20(23-18)25-12-6-3-7-13-25/h2,4-5,9-10H,3,6-8,12-15H2,1H3