2-[8-(3,3-diphenylpropylamino)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: 2-[8-(3,3-diphenylpropylamino)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: 2-[8-(3,3-diphenylpropylamino)-1,3-dimethyl-2,6-dioxo-purin-7-yl]acetate CAS Name: 2-[8-(3,3-diphenylpropylamino)-1,3-dimethyl-2,6-dioxo-7-purinyl]acetate IUPAC Name: 2-[8-(3,3-diphenylpropylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate Traditional Name: 2-[8-(3,3-diphenylpropylamino)-2,6-diketo-1,3-dimethyl-purin-7-yl]acetate Formula: C24H24N5O4- MolecularWeight: 446.47846

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC(C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC(C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)[O-]

InChI

InChI=1S/C24H25N5O4/c1-27-21-20(22(32)28(2)24(27)33)29(15-19(30)31)23(26-21)25-14-13-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,25,26)(H,30,31)/p-1