2-[1-tert-butyl-7-[(4-methoxyphenyl)methyl]-2,6-bis(oxidanylidene)purin-3-yl]ethanenitrile

Systemtic Name: 2-[1-tert-butyl-7-[(4-methoxyphenyl)methyl]-2,6-bis(oxidanylidene)purin-3-yl]ethanenitrile Openeye Name: 2-[1-tert-butyl-7-[(4-methoxyphenyl)methyl]-2,6-dioxo-purin-3-yl]acetonitrile CAS Name: 2-[1-tert-butyl-7-[(4-methoxyphenyl)methyl]-2,6-dioxo-3-purinyl]acetonitrile IUPAC Name: 2-[1-tert-butyl-7-[(4-methoxyphenyl)methyl]-2,6-dioxopurin-3-yl]acetonitrile Traditional Name: 2-(1-tert-butyl-2,6-diketo-7-p-anisyl-purin-3-yl)acetonitrile Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)OC)N(C1=O)CC#N

Isomeric SMILES

CC(C)(C)N1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)OC)N(C1=O)CC#N

InChI

InChI=1S/C19H21N5O3/c1-19(2,3)24-17(25)15-16(23(10-9-20)18(24)26)21-12-22(15)11-13-5-7-14(27-4)8-6-13/h5-8,12H,10-11H2,1-4H3