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

Systemtic Name: 2-[7-[(4-methoxyphenyl)methyl]-2,6-bis(oxidanylidene)-3-propyl-purin-1-yl]ethanenitrile Openeye Name: 2-[7-[(4-methoxyphenyl)methyl]-2,6-dioxo-3-propyl-purin-1-yl]acetonitrile CAS Name: 2-[7-[(4-methoxyphenyl)methyl]-2,6-dioxo-3-propyl-1-purinyl]acetonitrile IUPAC Name: 2-[7-[(4-methoxyphenyl)methyl]-2,6-dioxo-3-propylpurin-1-yl]acetonitrile Traditional Name: 2-(2,6-diketo-7-p-anisyl-3-propyl-purin-1-yl)acetonitrile Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC#N)N(C=N2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC#N)N(C=N2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H19N5O3/c1-3-9-22-16-15(17(24)23(10-8-19)18(22)25)21(12-20-16)11-13-4-6-14(26-2)7-5-13/h4-7,12H,3,9-11H2,1-2H3