2-[[3-chloranyl-2-(4-hydroxyphenyl)-4-oxidanylidene-azetidin-1-yl]amino]-4-(4-methoxyphenyl)-1-methyl-6-oxidanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 2-[[3-chloranyl-2-(4-hydroxyphenyl)-4-oxidanylidene-azetidin-1-yl]amino]-4-(4-methoxyphenyl)-1-methyl-6-oxidanylidene-pyrimidine-5-carbonitrile Openeye Name: 2-[[3-chloro-2-(4-hydroxyphenyl)-4-oxo-azetidin-1-yl]amino]-4-(4-methoxyphenyl)-1-methyl-6-oxo-pyrimidine-5-carbonitrile CAS Name: 2-[[3-chloro-2-(4-hydroxyphenyl)-4-oxo-1-azetidinyl]amino]-4-(4-methoxyphenyl)-1-methyl-6-oxo-5-pyrimidinecarbonitrile IUPAC Name: 2-[[3-chloro-2-(4-hydroxyphenyl)-4-oxoazetidin-1-yl]amino]-4-(4-methoxyphenyl)-1-methyl-6-oxopyrimidine-5-carbonitrile Traditional Name: 2-[[3-chloro-2-(4-hydroxyphenyl)-4-keto-azetidin-1-yl]amino]-6-keto-4-(4-methoxyphenyl)-1-methyl-pyrimidine-5-carbonitrile Formula: C22H18ClN5O4 MolecularWeight: 451.86242

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1NN2C(C(C2=O)Cl)C3=CC=C(C=C3)O)C4=CC=C(C=C4)OC)C#N

Isomeric SMILES

CN1C(=O)C(=C(N=C1NN2C(C(C2=O)Cl)C3=CC=C(C=C3)O)C4=CC=C(C=C4)OC)C#N

InChI

InChI=1S/C22H18ClN5O4/c1-27-20(30)16(11-24)18(12-5-9-15(32-2)10-6-12)25-22(27)26-28-19(17(23)21(28)31)13-3-7-14(29)8-4-13/h3-10,17,19,29H,1-2H3,(H,25,26)