2-[[8-(2-azanylethoxy)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[8-(2-azanylethoxy)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[8-(2-aminoethoxy)-1,3-dimethyl-2,6-dioxo-purin-7-yl]methyl]benzonitrile CAS Name: 2-[[8-(2-aminoethoxy)-1,3-dimethyl-2,6-dioxo-7-purinyl]methyl]benzonitrile IUPAC Name: 2-[[8-(2-aminoethoxy)-1,3-dimethyl-2,6-dioxopurin-7-yl]methyl]benzonitrile Traditional Name: 2-[[8-(2-aminoethoxy)-2,6-diketo-1,3-dimethyl-purin-7-yl]methyl]benzonitrile Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCCN)CC3=CC=CC=C3C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCCN)CC3=CC=CC=C3C#N

InChI

InChI=1S/C17H18N6O3/c1-21-14-13(15(24)22(2)17(21)25)23(16(20-14)26-8-7-18)10-12-6-4-3-5-11(12)9-19/h3-6H,7-8,10,18H2,1-2H3