[2-acetamido-9-[4,4-diethoxy-2-(hydroxymethyl)butyl]purin-6-yl] N,N-diphenylcarbamate

Systemtic Name: [2-acetamido-9-[4,4-diethoxy-2-(hydroxymethyl)butyl]purin-6-yl] N,N-diphenylcarbamate Openeye Name: [2-acetamido-9-[4,4-diethoxy-2-(hydroxymethyl)butyl]purin-6-yl] N,N-diphenylcarbamate CAS Name: N,N-diphenylcarbamic acid [2-acetamido-9-[4,4-diethoxy-2-(hydroxymethyl)butyl]-6-purinyl] ester IUPAC Name: [2-acetamido-9-[4,4-diethoxy-2-(hydroxymethyl)butyl]purin-6-yl] N,N-diphenylcarbamate Traditional Name: N,N-diphenylcarbamic acid [2-acetamido-9-(4,4-diethoxy-2-methylol-butyl)purin-6-yl] ester Formula: C29H34N6O6 MolecularWeight: 562.61686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(CN1C=NC2=C1N=C(N=C2OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C)CO)OCC

Isomeric SMILES

CCOC(CC(CN1C=NC2=C1N=C(N=C2OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C)CO)OCC

InChI

InChI=1S/C29H34N6O6/c1-4-39-24(40-5-2)16-21(18-36)17-34-19-30-25-26(34)32-28(31-20(3)37)33-27(25)41-29(38)35(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,19,21,24,36H,4-5,16-18H2,1-3H3,(H,31,32,33,37)