3-[3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanoylamino]-N-methyl-benzamide

Systemtic Name: 3-[3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanoylamino]-N-methyl-benzamide Openeye Name: 3-[3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)propanoylamino]-N-methyl-benzamide CAS Name: 3-[[3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-1-oxopropyl]amino]-N-methylbenzamide IUPAC Name: 3-[3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]propanoylamino]-N-methylbenzamide Traditional Name: 3-[3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)propanoylamino]-N-methyl-benzamide Formula: C24H32N6O4 MolecularWeight: 468.54868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CC=CC(=C3)C(=O)NC)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CC=CC(=C3)C(=O)NC)CC(C)C

InChI

InChI=1S/C24H32N6O4/c1-5-6-12-29-21-20(23(33)28-24(29)34)30(14-15(2)3)18(27-21)10-11-19(31)26-17-9-7-8-16(13-17)22(32)25-4/h7-9,13,15H,5-6,10-12,14H2,1-4H3,(H,25,32)(H,26,31)(H,28,33,34)