1-[3-(2-azanylethyl)phenyl]-3-[2-chloranyl-4-(trifluoromethyl)phenyl]-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 1-[3-(2-azanylethyl)phenyl]-3-[2-chloranyl-4-(trifluoromethyl)phenyl]-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-[3-(2-aminoethyl)phenyl]-7-anilino-3-[2-chloro-4-(trifluoromethyl)phenyl]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-[3-(2-aminoethyl)phenyl]-7-anilino-3-[2-chloro-4-(trifluoromethyl)phenyl]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-[3-(2-aminoethyl)phenyl]-7-anilino-3-[2-chloro-4-(trifluoromethyl)phenyl]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-[3-(2-aminoethyl)phenyl]-7-anilino-3-[2-chloro-4-(trifluoromethyl)phenyl]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C27H22ClF3N6O MolecularWeight: 538.95139

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CN=C(N=C2N(C(=O)N1C3=C(C=C(C=C3)C(F)(F)F)Cl)C4=CC=CC(=C4)CCN)NC5=CC=CC=C5

Isomeric SMILES

C1C2=CN=C(N=C2N(C(=O)N1C3=C(C=C(C=C3)C(F)(F)F)Cl)C4=CC=CC(=C4)CCN)NC5=CC=CC=C5

InChI

InChI=1S/C27H22ClF3N6O/c28-22-14-19(27(29,30)31)9-10-23(22)36-16-18-15-33-25(34-20-6-2-1-3-7-20)35-24(18)37(26(36)38)21-8-4-5-17(13-21)11-12-32/h1-10,13-15H,11-12,16,32H2,(H,33,34,35)