2-[8-[4-(diethoxyphosphorylmethoxy)butan-2-yloxy]-7H-purin-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[8-[4-(diethoxyphosphorylmethoxy)butan-2-yloxy]-7H-purin-6-yl]isoindole-1,3-dione Openeye Name: 2-[8-[3-(diethoxyphosphorylmethoxy)-1-methyl-propoxy]-7H-purin-6-yl]isoindoline-1,3-dione CAS Name: 2-[8-[4-(diethoxyphosphorylmethoxy)butan-2-yloxy]-7H-purin-6-yl]isoindole-1,3-dione IUPAC Name: 2-[8-[4-(diethoxyphosphorylmethoxy)butan-2-yloxy]-7H-purin-6-yl]isoindole-1,3-dione Traditional Name: 2-[8-[3-(diethoxyphosphorylmethoxy)-1-methyl-propoxy]-7H-purin-6-yl]isoindoline-1,3-quinone Formula: C22H26N5O7P MolecularWeight: 503.444901

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COCCC(C)OC1=NC2=C(N1)C(=NC=N2)N3C(=O)C4=CC=CC=C4C3=O)OCC

Isomeric SMILES

CCOP(=O)(COCCC(C)OC1=NC2=C(N1)C(=NC=N2)N3C(=O)C4=CC=CC=C4C3=O)OCC

InChI

InChI=1S/C22H26N5O7P/c1-4-32-35(30,33-5-2)13-31-11-10-14(3)34-22-25-17-18(26-22)23-12-24-19(17)27-20(28)15-8-6-7-9-16(15)21(27)29/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,23,24,25,26)