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

Systemtic Name: 3-[3-methyl-2,6-bis(oxidanylidene)-8-[[(phenylmethyl)amino]methyl]purin-7-yl]propanenitrile Openeye Name: 3-[8-[(benzylamino)methyl]-3-methyl-2,6-dioxo-purin-7-yl]propanenitrile CAS Name: 3-[3-methyl-2,6-dioxo-8-[[(phenylmethyl)amino]methyl]-7-purinyl]propanenitrile IUPAC Name: 3-[8-[(benzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]propanenitrile Traditional Name: 3-[8-[(benzylamino)methyl]-2,6-diketo-3-methyl-purin-7-yl]propionitrile Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CNCC3=CC=CC=C3)CCC#N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CNCC3=CC=CC=C3)CCC#N

InChI

InChI=1S/C17H18N6O2/c1-22-15-14(16(24)21-17(22)25)23(9-5-8-18)13(20-15)11-19-10-12-6-3-2-4-7-12/h2-4,6-7,19H,5,9-11H2,1H3,(H,21,24,25)