3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-[4-(methylcarbamoylamino)phenyl]propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-[4-(methylcarbamoylamino)phenyl]propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-[4-(methylcarbamoylamino)phenyl]propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-[4-(methylcarbamoylamino)phenyl]propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-[4-(methylcarbamoylamino)phenyl]propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-[4-(methylcarbamoylamino)phenyl]propionamide Formula: C25H35N7O4 MolecularWeight: 497.5899

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=C(C=C3)NC(=O)NC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=C(C=C3)NC(=O)NC

InChI

InChI=1S/C25H35N7O4/c1-4-6-8-16-31-19(29-22-21(31)23(34)30-25(36)32(22)15-7-5-2)13-14-20(33)27-17-9-11-18(12-10-17)28-24(35)26-3/h9-12H,4-8,13-16H2,1-3H3,(H,27,33)(H2,26,28,35)(H,30,34,36)