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

Systemtic Name: 2-[7-(3-methylbutyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanenitrile Openeye Name: 2-(3-benzyl-7-isopentyl-2,6-dioxo-purin-1-yl)acetonitrile CAS Name: 2-[7-(3-methylbutyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetonitrile IUPAC Name: 2-[3-benzyl-7-(3-methylbutyl)-2,6-dioxopurin-1-yl]acetonitrile Traditional Name: 2-(3-benzyl-7-isoamyl-2,6-diketo-purin-1-yl)acetonitrile Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC#N

Isomeric SMILES

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC#N

InChI

InChI=1S/C19H21N5O2/c1-14(2)8-10-22-13-21-17-16(22)18(25)23(11-9-20)19(26)24(17)12-15-6-4-3-5-7-15/h3-7,13-14H,8,10-12H2,1-2H3