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

Systemtic Name: 3-[3-methyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-1-yl]propanenitrile Openeye Name: 3-[7-isobutyl-3-methyl-2,6-dioxo-8-(1-piperidyl)purin-1-yl]propanenitrile CAS Name: 3-[3-methyl-7-(2-methylpropyl)-2,6-dioxo-8-(1-piperidinyl)-1-purinyl]propanenitrile IUPAC Name: 3-[3-methyl-7-(2-methylpropyl)-2,6-dioxo-8-piperidin-1-ylpurin-1-yl]propanenitrile Traditional Name: 3-(7-isobutyl-2,6-diketo-3-methyl-8-piperidino-purin-1-yl)propionitrile Formula: C18H26N6O2 MolecularWeight: 358.43804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)CCC#N)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)CCC#N)C

InChI

InChI=1S/C18H26N6O2/c1-13(2)12-24-14-15(20-17(24)22-9-5-4-6-10-22)21(3)18(26)23(16(14)25)11-7-8-19/h13H,4-7,9-12H2,1-3H3