2-azanyl-9-[[(3-oxidanyl-2-propoxy-phenyl)-diphenyl-methoxy]methyl]-8-(triphenylmethyl)-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[(3-oxidanyl-2-propoxy-phenyl)-diphenyl-methoxy]methyl]-8-(triphenylmethyl)-3H-purin-6-one Openeye Name: 2-amino-9-[[(3-hydroxy-2-propoxy-phenyl)-diphenyl-methoxy]methyl]-8-trityl-3H-purin-6-one CAS Name: 2-amino-9-[[(3-hydroxy-2-propoxyphenyl)-diphenylmethoxy]methyl]-8-(triphenylmethyl)-3H-purin-6-one IUPAC Name: 2-amino-9-[[(3-hydroxy-2-propoxyphenyl)-diphenylmethoxy]methyl]-8-trityl-3H-purin-6-one Traditional Name: 2-amino-9-[[(3-hydroxy-2-propoxy-phenyl)-diphenyl-methoxy]methyl]-8-trityl-3H-purin-6-one Formula: C47H41N5O4 MolecularWeight: 739.85954

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCN4C5=C(C(=O)N=C(N5)N)N=C4C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

CCCOC1=C(C=CC=C1O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCN4C5=C(C(=O)N=C(N5)N)N=C4C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C47H41N5O4/c1-2-31-55-41-38(29-18-30-39(41)53)47(36-25-14-6-15-26-36,37-27-16-7-17-28-37)56-32-52-42-40(43(54)51-45(48)50-42)49-44(52)46(33-19-8-3-9-20-33,34-21-10-4-11-22-34)35-23-12-5-13-24-35/h3-30,53H,2,31-32H2,1H3,(H3,48,50,51,54)