4-[(2-azanylidene-3-oxidanylidene-butanoyl)amino]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

Systemtic Name: 4-[(2-azanylidene-3-oxidanylidene-butanoyl)amino]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 4-[(2-imino-3-oxo-butanoyl)amino]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: 4-[(2-imino-1,3-dioxobutyl)amino]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-[(2-imino-3-oxobutanoyl)amino]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-[(2-imino-3-keto-butanoyl)amino]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C27H23N7O3 MolecularWeight: 493.51662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C(=N)C(=O)C)NC3=NC=CC(=N3)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C(=N)C(=O)C)NC3=NC=CC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C27H23N7O3/c1-16-5-8-21(14-23(16)34-27-30-13-11-22(33-27)19-4-3-12-29-15-19)32-25(36)18-6-9-20(10-7-18)31-26(37)24(28)17(2)35/h3-15,28H,1-2H3,(H,31,37)(H,32,36)(H,30,33,34)