N-[3-[7-[[3-(2-azanylethylamino)phenyl]amino]-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[3-[7-[[3-(2-azanylethylamino)phenyl]amino]-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[3-[7-[3-(2-aminoethylamino)anilino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[3-[7-[3-(2-aminoethylamino)anilino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[3-[7-[3-(2-aminoethylamino)anilino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[3-[7-[3-(2-aminoethylamino)anilino]-2-keto-1-methyl-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Formula: C30H29F3N8O2 MolecularWeight: 590.59887

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)N3CC4=CN=C(N=C4N(C3=O)C)NC5=CC(=CC=C5)NCCN

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)N3CC4=CN=C(N=C4N(C3=O)C)NC5=CC(=CC=C5)NCCN

InChI

InChI=1S/C30H29F3N8O2/c1-18-9-10-24(37-27(42)19-5-3-6-21(13-19)30(31,32)33)15-25(18)41-17-20-16-36-28(39-26(20)40(2)29(41)43)38-23-8-4-7-22(14-23)35-12-11-34/h3-10,13-16,35H,11-12,17,34H2,1-2H3,(H,37,42)(H,36,38,39)