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

Systemtic Name: 4-[3-[1,7-dimethyl-2,6-bis(oxidanylidene)-3-propyl-purin-8-yl]propyl]-N,N-diethyl-piperazine-1-carboxamide Openeye Name: 4-[3-(1,7-dimethyl-2,6-dioxo-3-propyl-purin-8-yl)propyl]-N,N-diethyl-piperazine-1-carboxamide CAS Name: 4-[3-(1,7-dimethyl-2,6-dioxo-3-propyl-8-purinyl)propyl]-N,N-diethyl-1-piperazinecarboxamide IUPAC Name: 4-[3-(1,7-dimethyl-2,6-dioxo-3-propylpurin-8-yl)propyl]-N,N-diethylpiperazine-1-carboxamide Traditional Name: 4-[3-(2,6-diketo-1,7-dimethyl-3-propyl-purin-8-yl)propyl]-N,N-diethyl-piperazine-1-carboxamide Formula: C22H37N7O3 MolecularWeight: 447.57428

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CCCN3CCN(CC3)C(=O)N(CC)CC)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CCCN3CCN(CC3)C(=O)N(CC)CC)C

InChI

InChI=1S/C22H37N7O3/c1-6-11-29-19-18(20(30)25(5)21(29)31)24(4)17(23-19)10-9-12-26-13-15-28(16-14-26)22(32)27(7-2)8-3/h6-16H2,1-5H3