3-[3-methyl-2,6-bis(oxidanylidene)-8-[(phenethylamino)methyl]purin-7-yl]propanenitrile

Systemtic Name: 3-[3-methyl-2,6-bis(oxidanylidene)-8-[(phenethylamino)methyl]purin-7-yl]propanenitrile Openeye Name: 3-[3-methyl-2,6-dioxo-8-[(phenethylamino)methyl]purin-7-yl]propanenitrile CAS Name: 3-[3-methyl-2,6-dioxo-8-[(phenethylamino)methyl]-7-purinyl]propanenitrile IUPAC Name: 3-[3-methyl-2,6-dioxo-8-[(phenethylamino)methyl]purin-7-yl]propanenitrile Traditional Name: 3-[2,6-diketo-3-methyl-8-[(phenethylamino)methyl]purin-7-yl]propionitrile Formula: C18H20N6O2 MolecularWeight: 352.3904

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CNCCC3=CC=CC=C3)CCC#N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CNCCC3=CC=CC=C3)CCC#N

InChI

InChI=1S/C18H20N6O2/c1-23-16-15(17(25)22-18(23)26)24(11-5-9-19)14(21-16)12-20-10-8-13-6-3-2-4-7-13/h2-4,6-7,20H,5,8,10-12H2,1H3,(H,22,25,26)