9-[4-(hydroxymethyl)cyclohex-3-en-1-yl]-2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-3H-purin-6-one

Systemtic Name: 9-[4-(hydroxymethyl)cyclohex-3-en-1-yl]-2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-3H-purin-6-one Openeye Name: 9-[4-(hydroxymethyl)cyclohex-3-en-1-yl]-2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-3H-purin-6-one CAS Name: 9-[4-(hydroxymethyl)-1-cyclohex-3-enyl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-3H-purin-6-one IUPAC Name: 9-[4-(hydroxymethyl)cyclohex-3-en-1-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-3H-purin-6-one Traditional Name: 2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-9-(4-methylolcyclohex-3-en-1-yl)-3H-purin-6-one Formula: C32H31N5O3 MolecularWeight: 533.62024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)C5=C(N4)N(C=N5)C6CCC(=CC6)CO

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)C5=C(N4)N(C=N5)C6CCC(=CC6)CO

InChI

InChI=1S/C32H31N5O3/c1-40-27-18-14-25(15-19-27)32(23-8-4-2-5-9-23,24-10-6-3-7-11-24)36-31-34-29-28(30(39)35-31)33-21-37(29)26-16-12-22(20-38)13-17-26/h2-12,14-15,18-19,21,26,38H,13,16-17,20H2,1H3,(H2,34,35,36,39)