9-(2-azidononan-3-yl)-2-[5-morpholin-4-ylsulfonyl-2-(2-propoxyphenyl)phenyl]-3H-purin-6-one

Systemtic Name: 9-(2-azidononan-3-yl)-2-[5-morpholin-4-ylsulfonyl-2-(2-propoxyphenyl)phenyl]-3H-purin-6-one Openeye Name: 9-[1-(1-azidoethyl)heptyl]-2-[5-morpholinosulfonyl-2-(2-propoxyphenyl)phenyl]-3H-purin-6-one CAS Name: 9-(2-azidononan-3-yl)-2-[5-(4-morpholinylsulfonyl)-2-(2-propoxyphenyl)phenyl]-3H-purin-6-one IUPAC Name: 9-(2-azidononan-3-yl)-2-[5-morpholin-4-ylsulfonyl-2-(2-propoxyphenyl)phenyl]-3H-purin-6-one Traditional Name: 9-[1-(1-azidoethyl)heptyl]-2-[5-morpholinosulfonyl-2-(2-propoxyphenyl)phenyl]-3H-purin-6-one Formula: C33H42N8O5S MolecularWeight: 662.80218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)N=[N+]=[N-])N1C=NC2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5OCCC

Isomeric SMILES

CCCCCCC(C(C)N=[N+]=[N-])N1C=NC2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5OCCC

InChI

InChI=1S/C33H42N8O5S/c1-4-6-7-8-12-28(23(3)38-39-34)41-22-35-30-32(41)36-31(37-33(30)42)27-21-24(47(43,44)40-16-19-45-20-17-40)14-15-25(27)26-11-9-10-13-29(26)46-18-5-2/h9-11,13-15,21-23,28H,4-8,12,16-20H2,1-3H3,(H,36,37,42)