2-azanyl-9-(5-methyl-4-oxidanyl-oxolan-2-yl)-1-[2-(4-nitrophenyl)ethyl]purin-6-one

Systemtic Name: 2-azanyl-9-(5-methyl-4-oxidanyl-oxolan-2-yl)-1-[2-(4-nitrophenyl)ethyl]purin-6-one Openeye Name: 2-amino-9-(4-hydroxy-5-methyl-tetrahydrofuran-2-yl)-1-[2-(4-nitrophenyl)ethyl]purin-6-one CAS Name: 2-amino-9-(4-hydroxy-5-methyl-2-oxolanyl)-1-[2-(4-nitrophenyl)ethyl]-6-purinone IUPAC Name: 2-amino-9-(4-hydroxy-5-methyloxolan-2-yl)-1-[2-(4-nitrophenyl)ethyl]purin-6-one Traditional Name: 2-amino-9-(4-hydroxy-5-methyl-tetrahydrofuran-2-yl)-1-[2-(4-nitrophenyl)ethyl]purin-6-one Formula: C18H20N6O5 MolecularWeight: 400.3886

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(O1)N2C=NC3=C2N=C(N(C3=O)CCC4=CC=C(C=C4)[N+](=O)[O-])N)O

Isomeric SMILES

CC1C(CC(O1)N2C=NC3=C2N=C(N(C3=O)CCC4=CC=C(C=C4)[N+](=O)[O-])N)O

InChI

InChI=1S/C18H20N6O5/c1-10-13(25)8-14(29-10)23-9-20-15-16(23)21-18(19)22(17(15)26)7-6-11-2-4-12(5-3-11)24(27)28/h2-5,9-10,13-14,25H,6-8H2,1H3,(H2,19,21)