9-[5-(azidomethyl)-4-oxidanyl-oxolan-2-yl]-2-[(4-butylphenyl)amino]-3H-purin-6-one

Systemtic Name: 9-[5-(azidomethyl)-4-oxidanyl-oxolan-2-yl]-2-[(4-butylphenyl)amino]-3H-purin-6-one Openeye Name: 9-[5-(azidomethyl)-4-hydroxy-tetrahydrofuran-2-yl]-2-(4-butylanilino)-3H-purin-6-one CAS Name: 9-[5-(azidomethyl)-4-hydroxy-2-oxolanyl]-2-(4-butylanilino)-3H-purin-6-one IUPAC Name: 9-[5-(azidomethyl)-4-hydroxyoxolan-2-yl]-2-(4-butylanilino)-3H-purin-6-one Traditional Name: 9-[5-(azidomethyl)-4-hydroxy-tetrahydrofuran-2-yl]-2-(4-butylanilino)-3H-purin-6-one Formula: C20H24N8O3 MolecularWeight: 424.45636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N(C=N3)C4CC(C(O4)CN=[N+]=[N-])O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N(C=N3)C4CC(C(O4)CN=[N+]=[N-])O

InChI

InChI=1S/C20H24N8O3/c1-2-3-4-12-5-7-13(8-6-12)24-20-25-18-17(19(30)26-20)22-11-28(18)16-9-14(29)15(31-16)10-23-27-21/h5-8,11,14-16,29H,2-4,9-10H2,1H3,(H2,24,25,26,30)