2-azanyl-9-[(2S)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]-2-oxidanyl-propyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2S)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]-2-oxidanyl-propyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2S)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]-2-hydroxy-propyl]-3H-purin-6-one CAS Name: 2-amino-9-[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2S)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]-2-hydroxy-propyl]-3H-purin-6-one Formula: C29H29N5O5 MolecularWeight: 527.57106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC(CN4C=NC5=C4NC(=NC5=O)N)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@H](CN4C=NC5=C4NC(=NC5=O)N)O

InChI

InChI=1S/C29H29N5O5/c1-37-23-12-8-20(9-13-23)29(19-6-4-3-5-7-19,21-10-14-24(38-2)15-11-21)39-17-22(35)16-34-18-31-25-26(34)32-28(30)33-27(25)36/h3-15,18,22,35H,16-17H2,1-2H3,(H3,30,32,33,36)/t22-/m0/s1