N-[(4-dimethylaminophenyl)methyl]-2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-2-(3,7-dimethyl-2,6-dioxo-1-purinyl)acetamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)-N-[4-(dimethylamino)benzyl]acetamide Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NCC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NCC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C18H22N6O3/c1-21(2)13-7-5-12(6-8-13)9-19-14(25)10-24-17(26)15-16(20-11-22(15)3)23(4)18(24)27/h5-8,11H,9-10H2,1-4H3,(H,19,25)