1-[4-[6-(3,6-dihydro-2H-pyran-4-yl)-9-ethyl-purin-2-yl]phenyl]-3-[4-(4-methylpiperazin-1-yl)carbonylphenyl]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)carbonylphenyl]urea Openeye Name: 1-[4-[6-(3,6-dihydro-2H-pyran-4-yl)-9-ethyl-purin-2-yl]phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)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)-oxomethyl]phenyl]urea IUPAC Name: 1-[4-[6-(3,6-dihydro-2H-pyran-4-yl)-9-ethylpurin-2-yl]phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea Traditional Name: 1-[4-[6-(3,6-dihydro-2H-pyran-4-yl)-9-ethyl-purin-2-yl]phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea Formula: C31H34N8O3 MolecularWeight: 566.65346

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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)C(=O)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)C(=O)N5CCN(CC5)C)C6=CCOCC6

InChI

InChI=1S/C31H34N8O3/c1-3-38-20-32-27-26(21-12-18-42-19-13-21)35-28(36-29(27)38)22-4-8-24(9-5-22)33-31(41)34-25-10-6-23(7-11-25)30(40)39-16-14-37(2)15-17-39/h4-12,20H,3,13-19H2,1-2H3,(H2,33,34,41)