2-azanyl-9-[3-(hydroxymethyl)-4-oxidanyl-butyl]-8-[(4-methoxyphenyl)-diphenyl-methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[3-(hydroxymethyl)-4-oxidanyl-butyl]-8-[(4-methoxyphenyl)-diphenyl-methyl]-3H-purin-6-one Openeye Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-8-[(4-methoxyphenyl)-diphenyl-methyl]-3H-purin-6-one CAS Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-8-[(4-methoxyphenyl)-diphenylmethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-8-[(4-methoxyphenyl)-diphenylmethyl]-3H-purin-6-one Traditional Name: 2-amino-9-(4-hydroxy-3-methylol-butyl)-8-[(4-methoxyphenyl)-diphenyl-methyl]-3H-purin-6-one Formula: C30H31N5O4 MolecularWeight: 525.59824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=NC5=C(N4CCC(CO)CO)NC(=NC5=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=NC5=C(N4CCC(CO)CO)NC(=NC5=O)N

InChI

InChI=1S/C30H31N5O4/c1-39-24-14-12-23(13-15-24)30(21-8-4-2-5-9-21,22-10-6-3-7-11-22)28-32-25-26(33-29(31)34-27(25)38)35(28)17-16-20(18-36)19-37/h2-15,20,36-37H,16-19H2,1H3,(H3,31,33,34,38)