6-chloranyl-9-[[4-[di(propan-2-yloxy)phosphorylmethoxymethyl]phenyl]methyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-[[4-[di(propan-2-yloxy)phosphorylmethoxymethyl]phenyl]methyl]purin-2-amine Openeye Name: 6-chloro-9-[[4-(diisopropoxyphosphorylmethoxymethyl)phenyl]methyl]purin-2-amine CAS Name: 6-chloro-9-[[4-[di(propan-2-yloxy)phosphorylmethoxymethyl]phenyl]methyl]-2-purinamine IUPAC Name: 6-chloro-9-[[4-[di(propan-2-yloxy)phosphorylmethoxymethyl]phenyl]methyl]purin-2-amine Traditional Name: [6-chloro-9-[4-(diisopropoxyphosphorylmethoxymethyl)benzyl]purin-2-yl]amine Formula: C20H27ClN5O4P MolecularWeight: 467.886241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(COCC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3Cl)N)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(COCC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3Cl)N)OC(C)C

InChI

InChI=1S/C20H27ClN5O4P/c1-13(2)29-31(27,30-14(3)4)12-28-10-16-7-5-15(6-8-16)9-26-11-23-17-18(21)24-20(22)25-19(17)26/h5-8,11,13-14H,9-10,12H2,1-4H3,(H2,22,24,25)