3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]propanamide

Systemtic Name: 3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]propanamide Openeye Name: 3-(3,7-dibutyl-2,6-dioxo-purin-8-yl)-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]propanamide CAS Name: 3-(3,7-dibutyl-2,6-dioxo-8-purinyl)-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]propanamide IUPAC Name: 3-(3,7-dibutyl-2,6-dioxopurin-8-yl)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]propanamide Traditional Name: 3-(3,7-dibutyl-2,6-diketo-purin-8-yl)-N-[(6-pyrrolidino-3-pyridyl)methyl]propionamide Formula: C26H37N7O3 MolecularWeight: 495.61708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3=CN=C(C=C3)N4CCCC4

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3=CN=C(C=C3)N4CCCC4

InChI

InChI=1S/C26H37N7O3/c1-3-5-15-32-21(29-24-23(32)25(35)30-26(36)33(24)16-6-4-2)11-12-22(34)28-18-19-9-10-20(27-17-19)31-13-7-8-14-31/h9-10,17H,3-8,11-16,18H2,1-2H3,(H,28,34)(H,30,35,36)