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

Systemtic Name: 1-[[6-(2,2-diphenylethylamino)-7H-purin-2-yl]methyl]-3-(2-piperidin-1-ylethyl)urea Openeye Name: 1-[[6-(2,2-diphenylethylamino)-7H-purin-2-yl]methyl]-3-[2-(1-piperidyl)ethyl]urea CAS Name: 1-[[6-(2,2-diphenylethylamino)-7H-purin-2-yl]methyl]-3-[2-(1-piperidinyl)ethyl]urea IUPAC Name: 1-[[6-(2,2-diphenylethylamino)-7H-purin-2-yl]methyl]-3-(2-piperidin-1-ylethyl)urea Traditional Name: 1-[[6-(2,2-diphenylethylamino)-7H-purin-2-yl]methyl]-3-(2-piperidinoethyl)urea Formula: C28H34N8O MolecularWeight: 498.62256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC(=O)NCC2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)NC=N3

Isomeric SMILES

C1CCN(CC1)CCNC(=O)NCC2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)NC=N3

InChI

InChI=1S/C28H34N8O/c37-28(29-14-17-36-15-8-3-9-16-36)31-19-24-34-26(25-27(35-24)33-20-32-25)30-18-23(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-2,4-7,10-13,20,23H,3,8-9,14-19H2,(H2,29,31,37)(H2,30,32,33,34,35)