2-azanyl-1-[(4-methoxyphenyl)-diphenyl-methyl]-9-[oxidanyl(3-oxidanylpropoxy)methyl]-7,8-dihydropurin-6-one

Systemtic Name: 2-azanyl-1-[(4-methoxyphenyl)-diphenyl-methyl]-9-[oxidanyl(3-oxidanylpropoxy)methyl]-7,8-dihydropurin-6-one Openeye Name: 2-amino-9-[hydroxy(3-hydroxypropoxy)methyl]-1-[(4-methoxyphenyl)-diphenyl-methyl]-7,8-dihydropurin-6-one CAS Name: 2-amino-9-[hydroxy(3-hydroxypropoxy)methyl]-1-[(4-methoxyphenyl)-diphenylmethyl]-7,8-dihydropurin-6-one IUPAC Name: 2-amino-9-[hydroxy(3-hydroxypropoxy)methyl]-1-[(4-methoxyphenyl)-diphenylmethyl]-7,8-dihydropurin-6-one Traditional Name: 2-amino-9-[hydroxy(3-hydroxypropoxy)methyl]-1-[(4-methoxyphenyl)-diphenyl-methyl]-7,8-dihydropurin-6-one Formula: C29H31N5O5 MolecularWeight: 529.58694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C(=O)C5=C(N=C4N)N(CN5)C(O)OCCCO

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C(=O)C5=C(N=C4N)N(CN5)C(O)OCCCO

InChI

InChI=1S/C29H31N5O5/c1-38-23-15-13-22(14-16-23)29(20-9-4-2-5-10-20,21-11-6-3-7-12-21)34-26(36)24-25(32-27(34)30)33(19-31-24)28(37)39-18-8-17-35/h2-7,9-16,28,31,35,37H,8,17-19H2,1H3,(H2,30,32)