3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-[(4-dimethylaminophenyl)methyl]propanamide

Systemtic Name: 3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-[(4-dimethylaminophenyl)methyl]propanamide Openeye Name: 3-(3,7-dibutyl-2,6-dioxo-purin-8-yl)-N-[(4-dimethylaminophenyl)methyl]propanamide CAS Name: 3-(3,7-dibutyl-2,6-dioxo-8-purinyl)-N-[(4-dimethylaminophenyl)methyl]propanamide IUPAC Name: 3-(3,7-dibutyl-2,6-dioxopurin-8-yl)-N-[(4-dimethylaminophenyl)methyl]propanamide Traditional Name: 3-(3,7-dibutyl-2,6-diketo-purin-8-yl)-N-[4-(dimethylamino)benzyl]propionamide Formula: C25H36N6O3 MolecularWeight: 468.59174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C25H36N6O3/c1-5-7-15-30-20(27-23-22(30)24(33)28-25(34)31(23)16-8-6-2)13-14-21(32)26-17-18-9-11-19(12-10-18)29(3)4/h9-12H,5-8,13-17H2,1-4H3,(H,26,32)(H,28,33,34)