N-[[(3-chloranyl-4-methyl-phenyl)amino]-[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-oxidanylidene-butanamide

Systemtic Name: N-[[(3-chloranyl-4-methyl-phenyl)amino]-[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-oxidanylidene-butanamide Openeye Name: N-[(3-chloro-4-methyl-anilino)-[(4,6-dimethylpyrimidin-2-yl)amino]methylene]-3-oxo-butanamide CAS Name: N-[(3-chloro-4-methylanilino)-[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene]-3-oxobutanamide IUPAC Name: N-[(3-chloro-4-methylanilino)-[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-oxobutanamide Traditional Name: N-[(3-chloro-4-methyl-anilino)-[(4,6-dimethylpyrimidin-2-yl)amino]methylene]-3-keto-butyramide Formula: C18H20ClN5O2 MolecularWeight: 373.8367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=NC(=O)CC(=O)C)NC2=NC(=CC(=N2)C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=NC(=O)CC(=O)C)NC2=NC(=CC(=N2)C)C)Cl

InChI

InChI=1S/C18H20ClN5O2/c1-10-5-6-14(9-15(10)19)22-18(23-16(26)8-13(4)25)24-17-20-11(2)7-12(3)21-17/h5-7,9H,8H2,1-4H3,(H2,20,21,22,23,24,26)