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

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

Systemtic Name:3-[7-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]propanenitrile
Openeye Name:3-(3-benzyl-7-cyclopentyl-2,6-dioxo-purin-1-yl)propanenitrile
CAS Name:3-[7-cyclopentyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]propanenitrile
IUPAC Name:3-(3-benzyl-7-cyclopentyl-2,6-dioxopurin-1-yl)propanenitrile
Traditional Name:3-(3-benzyl-7-cyclopentyl-2,6-diketo-purin-1-yl)propionitrile
Formula: C20H21N5O2
MolecularWeight: 363.41304
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CCC#N


Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CCC#N


InChI

InChI=1S/C20H21N5O2/c21-11-6-12-23-19(26)17-18(22-14-25(17)16-9-4-5-10-16)24(20(23)27)13-15-7-2-1-3-8-15/h1-3,7-8,14,16H,4-6,9-10,12-13H2


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