2-[3-(diphenylmethyl)-6-oxidanyl-2,6-dihydro-1H-purin-7-yl]ethyl ethanoate

Systemtic Name: 2-[3-(diphenylmethyl)-6-oxidanyl-2,6-dihydro-1H-purin-7-yl]ethyl ethanoate Openeye Name: 2-(3-benzhydryl-6-hydroxy-2,6-dihydro-1H-purin-7-yl)ethyl acetate CAS Name: acetic acid 2-[3-(diphenylmethyl)-6-hydroxy-2,6-dihydro-1H-purin-7-yl]ethyl ester IUPAC Name: 2-(3-benzhydryl-6-hydroxy-2,6-dihydro-1H-purin-7-yl)ethyl acetate Traditional Name: acetic acid 2-(3-benzhydryl-6-hydroxy-2,6-dihydro-1H-purin-7-yl)ethyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C=NC2=C1C(NCN2C(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC(=O)OCCN1C=NC2=C1C(NCN2C(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C22H24N4O3/c1-16(27)29-13-12-25-14-23-21-20(25)22(28)24-15-26(21)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,14,19,22,24,28H,12-13,15H2,1H3