6-azanyl-7-[1-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-3-oxidanyl-cyclopentyl]-1H-purin-2-one

Systemtic Name: 6-azanyl-7-[1-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-3-oxidanyl-cyclopentyl]-1H-purin-2-one Openeye Name: 6-amino-7-[3-hydroxy-1-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]cyclopentyl]-1H-purin-2-one CAS Name: 6-amino-7-[3-hydroxy-1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]cyclopentyl]-1H-purin-2-one IUPAC Name: 6-amino-7-[3-hydroxy-1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]cyclopentyl]-1H-purin-2-one Traditional Name: 6-amino-7-[3-hydroxy-1-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]cyclopentyl]-1H-purin-2-one Formula: C31H31N5O4 MolecularWeight: 537.60894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4(CCC(C4)O)N5C=NC6=NC(=O)NC(=C65)N

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4(CCC(C4)O)N5C=NC6=NC(=O)NC(=C65)N

InChI

InChI=1S/C31H31N5O4/c1-39-25-14-12-23(13-15-25)31(21-8-4-2-5-9-21,22-10-6-3-7-11-22)40-19-30(17-16-24(37)18-30)36-20-33-28-26(36)27(32)34-29(38)35-28/h2-15,20,24,37H,16-19H2,1H3,(H3,32,34,35,38)