2-azanyl-8-chloranyl-9-[(5-diphenoxyphosphoryloxolan-2-yl)methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-8-chloranyl-9-[(5-diphenoxyphosphoryloxolan-2-yl)methyl]-3H-purin-6-one Openeye Name: 2-amino-8-chloro-9-[(5-diphenoxyphosphoryltetrahydrofuran-2-yl)methyl]-3H-purin-6-one CAS Name: 2-amino-8-chloro-9-[(5-diphenoxyphosphoryl-2-oxolanyl)methyl]-3H-purin-6-one IUPAC Name: 2-amino-8-chloro-9-[(5-diphenoxyphosphoryloxolan-2-yl)methyl]-3H-purin-6-one Traditional Name: 2-amino-8-chloro-9-[(5-diphenoxyphosphoryltetrahydrofuran-2-yl)methyl]-3H-purin-6-one Formula: C22H21ClN5O5P MolecularWeight: 501.859401

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1CN2C3=C(C(=O)N=C(N3)N)N=C2Cl)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CC(OC1CN2C3=C(C(=O)N=C(N3)N)N=C2Cl)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C22H21ClN5O5P/c23-21-25-18-19(26-22(24)27-20(18)29)28(21)13-16-11-12-17(31-16)34(30,32-14-7-3-1-4-8-14)33-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H3,24,26,27,29)