[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] N-phenylcarbamate

Systemtic Name: [2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] N-phenylcarbamate Openeye Name: [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] N-phenylcarbamate CAS Name: N-phenylcarbamic acid [2-[[2-chloro-6-(methylamino)-9-purinyl]methyl]-3-phosphonooxypropyl] ester IUPAC Name: [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxypropyl] N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] ester Formula: C17H20ClN6O6P MolecularWeight: 470.804061

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2CC(COC(=O)NC3=CC=CC=C3)COP(=O)(O)O)Cl

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2CC(COC(=O)NC3=CC=CC=C3)COP(=O)(O)O)Cl

InChI

InChI=1S/C17H20ClN6O6P/c1-19-14-13-15(23-16(18)22-14)24(10-20-13)7-11(9-30-31(26,27)28)8-29-17(25)21-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3,(H,21,25)(H,19,22,23)(H2,26,27,28)