4-[2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethyl]-N,N-diethyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethyl]-N,N-diethyl-piperazine-1-carboxamide Openeye Name: 4-[2-(3,7-dimethyl-2,6-dioxo-purin-8-yl)ethyl]-N,N-diethyl-piperazine-1-carboxamide CAS Name: 4-[2-(3,7-dimethyl-2,6-dioxo-8-purinyl)ethyl]-N,N-diethyl-1-piperazinecarboxamide IUPAC Name: 4-[2-(3,7-dimethyl-2,6-dioxopurin-8-yl)ethyl]-N,N-diethylpiperazine-1-carboxamide Traditional Name: 4-[2-(2,6-diketo-3,7-dimethyl-purin-8-yl)ethyl]-N,N-diethyl-piperazine-1-carboxamide Formula: C18H29N7O3 MolecularWeight: 391.46796

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1CCN(CC1)CCC2=NC3=C(N2C)C(=O)NC(=O)N3C

Isomeric SMILES

CCN(CC)C(=O)N1CCN(CC1)CCC2=NC3=C(N2C)C(=O)NC(=O)N3C

InChI

InChI=1S/C18H29N7O3/c1-5-24(6-2)18(28)25-11-9-23(10-12-25)8-7-13-19-15-14(21(13)3)16(26)20-17(27)22(15)4/h5-12H2,1-4H3,(H,20,26,27)