1-[4-[6-(3,6-dihydro-2H-pyran-4-yl)-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]-3-methyl-urea

Systemtic Name: 1-[4-[6-(3,6-dihydro-2H-pyran-4-yl)-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]-3-methyl-urea Openeye Name: 1-[4-[6-(3,6-dihydro-2H-pyran-4-yl)-9-[1-(1H-pyrrol-2-ylmethyl)-4-piperidyl]purin-2-yl]phenyl]-3-methyl-urea CAS Name: 1-[4-[6-(3,6-dihydro-2H-pyran-4-yl)-9-[1-(1H-pyrrol-2-ylmethyl)-4-piperidinyl]-2-purinyl]phenyl]-3-methylurea IUPAC Name: 1-[4-[6-(3,6-dihydro-2H-pyran-4-yl)-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]-3-methylurea Traditional Name: 1-[4-[6-(3,6-dihydro-2H-pyran-4-yl)-9-[1-(1H-pyrrol-2-ylmethyl)-4-piperidyl]purin-2-yl]phenyl]-3-methyl-urea Formula: C28H32N8O2 MolecularWeight: 512.60608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C=N3)C4CCN(CC4)CC5=CC=CN5)C6=CCOCC6

Isomeric SMILES

CNC(=O)NC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C=N3)C4CCN(CC4)CC5=CC=CN5)C6=CCOCC6

InChI

InChI=1S/C28H32N8O2/c1-29-28(37)32-21-6-4-20(5-7-21)26-33-24(19-10-15-38-16-11-19)25-27(34-26)36(18-31-25)23-8-13-35(14-9-23)17-22-3-2-12-30-22/h2-7,10,12,18,23,30H,8-9,11,13-17H2,1H3,(H2,29,32,37)