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

Systemtic Name: 3-[7-[(4-methoxyphenyl)methyl]-2,6-bis(oxidanylidene)-3-propyl-purin-1-yl]propanenitrile Openeye Name: 3-[7-[(4-methoxyphenyl)methyl]-2,6-dioxo-3-propyl-purin-1-yl]propanenitrile CAS Name: 3-[7-[(4-methoxyphenyl)methyl]-2,6-dioxo-3-propyl-1-purinyl]propanenitrile IUPAC Name: 3-[7-[(4-methoxyphenyl)methyl]-2,6-dioxo-3-propylpurin-1-yl]propanenitrile Traditional Name: 3-(2,6-diketo-7-p-anisyl-3-propyl-purin-1-yl)propionitrile Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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