N-[3-[[5-methyl-2-[(phenylmethyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide

Systemtic Name: N-[3-[[5-methyl-2-[(phenylmethyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide Openeye Name: N-[3-[[2-(benzylamino)-5-methyl-pyrimidin-4-yl]amino]phenyl]prop-2-enamide CAS Name: N-[3-[[5-methyl-2-[(phenylmethyl)amino]-4-pyrimidinyl]amino]phenyl]-2-propenamide IUPAC Name: N-[3-[[2-(benzylamino)-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide Traditional Name: N-[3-[[2-(benzylamino)-5-methyl-pyrimidin-4-yl]amino]phenyl]acrylamide Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=CC(=CC=C2)NC(=O)C=C)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CN=C(N=C1NC2=CC(=CC=C2)NC(=O)C=C)NCC3=CC=CC=C3

InChI

InChI=1S/C21H21N5O/c1-3-19(27)24-17-10-7-11-18(12-17)25-20-15(2)13-22-21(26-20)23-14-16-8-5-4-6-9-16/h3-13H,1,14H2,2H3,(H,24,27)(H2,22,23,25,26)