1-[[6-(2,2-diphenylethylamino)-9-(2H-pyran-2-yl)-1,2,3,4-tetrahydropurin-2-yl]methyl]-3-(2-piperidin-1-ylethyl)urea

Systemtic Name: 1-[[6-(2,2-diphenylethylamino)-9-(2H-pyran-2-yl)-1,2,3,4-tetrahydropurin-2-yl]methyl]-3-(2-piperidin-1-ylethyl)urea Openeye Name: 1-[[6-(2,2-diphenylethylamino)-9-(2H-pyran-2-yl)-1,2,3,4-tetrahydropurin-2-yl]methyl]-3-[2-(1-piperidyl)ethyl]urea CAS Name: 1-[[6-(2,2-diphenylethylamino)-9-(2H-pyran-2-yl)-1,2,3,4-tetrahydropurin-2-yl]methyl]-3-[2-(1-piperidinyl)ethyl]urea IUPAC Name: 1-[[6-(2,2-diphenylethylamino)-9-(2H-pyran-2-yl)-1,2,3,4-tetrahydropurin-2-yl]methyl]-3-(2-piperidin-1-ylethyl)urea Traditional Name: 1-[[6-(2,2-diphenylethylamino)-9-(2H-pyran-2-yl)-1,2,3,4-tetrahydropurin-2-yl]methyl]-3-(2-piperidinoethyl)urea Formula: C33H42N8O2 MolecularWeight: 582.73898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC(=O)NCC2NC3C(=C(N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=CN3C6C=CC=CO6

Isomeric SMILES

C1CCN(CC1)CCNC(=O)NCC2NC3C(=C(N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=CN3C6C=CC=CO6

InChI

InChI=1S/C33H42N8O2/c42-33(34-17-20-40-18-9-3-10-19-40)36-23-28-38-31(30-32(39-28)41(24-37-30)29-16-8-11-21-43-29)35-22-27(25-12-4-1-5-13-25)26-14-6-2-7-15-26/h1-2,4-8,11-16,21,24,27-29,32,35,38-39H,3,9-10,17-20,22-23H2,(H2,34,36,42)