1-[4-(6-azanyl-8-iodanyl-purin-9-yl)phenyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[4-(6-azanyl-8-iodanyl-purin-9-yl)phenyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea Openeye Name: 1-[4-(6-amino-8-iodo-purin-9-yl)phenyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea CAS Name: 1-[4-(6-amino-8-iodo-9-purinyl)phenyl]-3-[3-[(4-methyl-1-piperazinyl)methyl]-5-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[4-(6-amino-8-iodopurin-9-yl)phenyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea Traditional Name: 1-[4-(6-amino-8-iodo-purin-9-yl)phenyl]-3-[3-[(4-methylpiperazino)methyl]-5-(trifluoromethyl)phenyl]urea Formula: C25H25F3IN9O MolecularWeight: 651.42538

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC(=CC(=C2)NC(=O)NC3=CC=C(C=C3)N4C5=C(C(=NC=N5)N)N=C4I)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)CC2=CC(=CC(=C2)NC(=O)NC3=CC=C(C=C3)N4C5=C(C(=NC=N5)N)N=C4I)C(F)(F)F

InChI

InChI=1S/C25H25F3IN9O/c1-36-6-8-37(9-7-36)13-15-10-16(25(26,27)28)12-18(11-15)34-24(39)33-17-2-4-19(5-3-17)38-22-20(35-23(38)29)21(30)31-14-32-22/h2-5,10-12,14H,6-9,13H2,1H3,(H2,30,31,32)(H2,33,34,39)