1-[4-[6-(3,6-dihydro-2H-pyran-4-yl)-9-ethyl-purin-2-yl]phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea

Systemtic Name: 1-[4-[6-(3,6-dihydro-2H-pyran-4-yl)-9-ethyl-purin-2-yl]phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea Openeye Name: 1-[4-[6-(3,6-dihydro-2H-pyran-4-yl)-9-ethyl-purin-2-yl]phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea CAS Name: 1-[4-[6-(3,6-dihydro-2H-pyran-4-yl)-9-ethyl-2-purinyl]phenyl]-3-[4-(4-methyl-1-piperazinyl)phenyl]urea IUPAC Name: 1-[4-[6-(3,6-dihydro-2H-pyran-4-yl)-9-ethylpurin-2-yl]phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[4-[6-(3,6-dihydro-2H-pyran-4-yl)-9-ethyl-purin-2-yl]phenyl]-3-[4-(4-methylpiperazino)phenyl]urea Formula: C30H34N8O2 MolecularWeight: 538.64336

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C(N=C(N=C21)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)N5CCN(CC5)C)C6=CCOCC6

Isomeric SMILES

CCN1C=NC2=C(N=C(N=C21)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)N5CCN(CC5)C)C6=CCOCC6

InChI

InChI=1S/C30H34N8O2/c1-3-37-20-31-27-26(21-12-18-40-19-13-21)34-28(35-29(27)37)22-4-6-23(7-5-22)32-30(39)33-24-8-10-25(11-9-24)38-16-14-36(2)15-17-38/h4-12,20H,3,13-19H2,1-2H3,(H2,32,33,39)