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

Systemtic Name: 2-[7-(2-methylpropyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanenitrile Openeye Name: 2-(3-benzyl-7-isobutyl-2,6-dioxo-purin-1-yl)acetonitrile CAS Name: 2-[7-(2-methylpropyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetonitrile IUPAC Name: 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]acetonitrile Traditional Name: 2-(3-benzyl-7-isobutyl-2,6-diketo-purin-1-yl)acetonitrile Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC#N

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC#N

InChI

InChI=1S/C18H19N5O2/c1-13(2)10-21-12-20-16-15(21)17(24)22(9-8-19)18(25)23(16)11-14-6-4-3-5-7-14/h3-7,12-13H,9-11H2,1-2H3