3-[[6-(2,2-diphenylethylamino)-7H-purin-2-yl]methyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea

Systemtic Name: 3-[[6-(2,2-diphenylethylamino)-7H-purin-2-yl]methyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea Openeye Name: 3-[[6-(2,2-diphenylethylamino)-7H-purin-2-yl]methyl]-1-methyl-1-[2-(2-pyridyl)ethyl]urea CAS Name: 3-[[6-(2,2-diphenylethylamino)-7H-purin-2-yl]methyl]-1-methyl-1-[2-(2-pyridinyl)ethyl]urea IUPAC Name: 3-[[6-(2,2-diphenylethylamino)-7H-purin-2-yl]methyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea Traditional Name: 3-[[6-(2,2-diphenylethylamino)-7H-purin-2-yl]methyl]-1-methyl-1-[2-(2-pyridyl)ethyl]urea Formula: C29H30N8O MolecularWeight: 506.6015

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C(=O)NCC2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)NC=N3

Isomeric SMILES

CN(CCC1=CC=CC=N1)C(=O)NCC2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)NC=N3

InChI

InChI=1S/C29H30N8O/c1-37(17-15-23-14-8-9-16-30-23)29(38)32-19-25-35-27(26-28(36-25)34-20-33-26)31-18-24(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-14,16,20,24H,15,17-19H2,1H3,(H,32,38)(H2,31,33,34,35,36)