2-methyl-6-[3-methyl-8-(methylaminomethyl)-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]hexanenitrile

Systemtic Name: 2-methyl-6-[3-methyl-8-(methylaminomethyl)-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]hexanenitrile Openeye Name: 6-[7-benzyl-3-methyl-8-(methylaminomethyl)-2,6-dioxo-purin-1-yl]-2-methyl-hexanenitrile CAS Name: 2-methyl-6-[3-methyl-8-(methylaminomethyl)-2,6-dioxo-7-(phenylmethyl)-1-purinyl]hexanenitrile IUPAC Name: 6-[7-benzyl-3-methyl-8-(methylaminomethyl)-2,6-dioxopurin-1-yl]-2-methylhexanenitrile Traditional Name: 6-[7-benzyl-2,6-diketo-3-methyl-8-(methylaminomethyl)purin-1-yl]-2-methyl-hexanenitrile Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)CNC)N(C1=O)C)C#N

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)CNC)N(C1=O)C)C#N

InChI

InChI=1S/C22H28N6O2/c1-16(13-23)9-7-8-12-27-21(29)19-20(26(3)22(27)30)25-18(14-24-2)28(19)15-17-10-5-4-6-11-17/h4-6,10-11,16,24H,7-9,12,14-15H2,1-3H3