N-[3-(2-azanyl-8-methyl-7-oxidanylidene-pteridin-6-yl)-4-methyl-phenyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide

Systemtic Name: N-[3-(2-azanyl-8-methyl-7-oxidanylidene-pteridin-6-yl)-4-methyl-phenyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide Openeye Name: N-[3-(2-amino-8-methyl-7-oxo-pteridin-6-yl)-4-methyl-phenyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide CAS Name: N-[3-(2-amino-8-methyl-7-oxo-6-pteridinyl)-4-methylphenyl]-3-(4-ethyl-1-piperazinyl)-5-(trifluoromethyl)benzamide IUPAC Name: N-[3-(2-amino-8-methyl-7-oxopteridin-6-yl)-4-methylphenyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide Traditional Name: N-[3-(2-amino-7-keto-8-methyl-pteridin-6-yl)-4-methyl-phenyl]-3-(4-ethylpiperazino)-5-(trifluoromethyl)benzamide Formula: C28H29F3N8O2 MolecularWeight: 566.57747

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)C)C4=NC5=CN=C(N=C5N(C4=O)C)N

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)C)C4=NC5=CN=C(N=C5N(C4=O)C)N

InChI

InChI=1S/C28H29F3N8O2/c1-4-38-7-9-39(10-8-38)20-12-17(11-18(13-20)28(29,30)31)25(40)34-19-6-5-16(2)21(14-19)23-26(41)37(3)24-22(35-23)15-33-27(32)36-24/h5-6,11-15H,4,7-10H2,1-3H3,(H,34,40)(H2,32,33,36)