6-(3-hexylsulfanylpropanoylamino)-N-[6-[(2-methoxyphenyl)carbamoyl]-5-oxidanyl-naphthalen-1-yl]-N-tetradecyl-purine-9-carboxamide

Systemtic Name: 6-(3-hexylsulfanylpropanoylamino)-N-[6-[(2-methoxyphenyl)carbamoyl]-5-oxidanyl-naphthalen-1-yl]-N-tetradecyl-purine-9-carboxamide Openeye Name: 6-(3-hexylsulfanylpropanoylamino)-N-[5-hydroxy-6-[(2-methoxyphenyl)carbamoyl]-1-naphthyl]-N-tetradecyl-purine-9-carboxamide CAS Name: 6-[[3-(hexylthio)-1-oxopropyl]amino]-N-[5-hydroxy-6-[(2-methoxyanilino)-oxomethyl]-1-naphthalenyl]-N-tetradecyl-9-purinecarboxamide IUPAC Name: 6-(3-hexylsulfanylpropanoylamino)-N-[5-hydroxy-6-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl]-N-tetradecylpurine-9-carboxamide Traditional Name: 6-[3-(hexylthio)propanoylamino]-N-[5-hydroxy-6-[(2-methoxyphenyl)carbamoyl]-1-naphthyl]-N-myristyl-purine-9-carboxamide Formula: C47H63N7O5S MolecularWeight: 838.11202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN(C1=CC=CC2=C1C=CC(=C2O)C(=O)NC3=CC=CC=C3OC)C(=O)N4C=NC5=C4N=CN=C5NC(=O)CCSCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCN(C1=CC=CC2=C1C=CC(=C2O)C(=O)NC3=CC=CC=C3OC)C(=O)N4C=NC5=C4N=CN=C5NC(=O)CCSCCCCCC

InChI

InChI=1S/C47H63N7O5S/c1-4-6-8-10-11-12-13-14-15-16-17-20-30-53(39-25-22-23-36-35(39)27-28-37(43(36)56)46(57)51-38-24-18-19-26-40(38)59-3)47(58)54-34-50-42-44(48-33-49-45(42)54)52-41(55)29-32-60-31-21-9-7-5-2/h18-19,22-28,33-34,56H,4-17,20-21,29-32H2,1-3H3,(H,51,57)(H,48,49,52,55)