2-azanyl-9-[2-[[di(propan-2-yl)amino]-(4-nitrophenoxy)phosphanyl]oxyethoxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[2-[[di(propan-2-yl)amino]-(4-nitrophenoxy)phosphanyl]oxyethoxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[2-[(diisopropylamino)-(4-nitrophenoxy)phosphanyl]oxyethoxymethyl]-3H-purin-6-one CAS Name: 2-amino-9-[2-[[di(propan-2-yl)amino]-(4-nitrophenoxy)phosphino]oxyethoxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[2-[[di(propan-2-yl)amino]-(4-nitrophenoxy)phosphanyl]oxyethoxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[2-[(diisopropylamino)-(4-nitrophenoxy)phosphino]oxyethoxymethyl]-3H-purin-6-one Formula: C20H28N7O6P MolecularWeight: 493.453381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)P(OCCOCN1C=NC2=C1NC(=NC2=O)N)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(C(C)C)P(OCCOCN1C=NC2=C1NC(=NC2=O)N)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H28N7O6P/c1-13(2)26(14(3)4)34(33-16-7-5-15(6-8-16)27(29)30)32-10-9-31-12-25-11-22-17-18(25)23-20(21)24-19(17)28/h5-8,11,13-14H,9-10,12H2,1-4H3,(H3,21,23,24,28)