3-[4-[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]phenyl]-N-(3-methylphenyl)prop-2-enamide

Systemtic Name: 3-[4-[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]phenyl]-N-(3-methylphenyl)prop-2-enamide Openeye Name: 3-[4-(2,4-diamino-6-methyl-pyrimidin-5-yl)phenyl]-N-(m-tolyl)prop-2-enamide CAS Name: 3-[4-(2,4-diamino-6-methyl-5-pyrimidinyl)phenyl]-N-(3-methylphenyl)-2-propenamide IUPAC Name: 3-[4-(2,4-diamino-6-methylpyrimidin-5-yl)phenyl]-N-(3-methylphenyl)prop-2-enamide Traditional Name: 3-[4-(2,4-diamino-6-methyl-pyrimidin-5-yl)phenyl]-N-(m-tolyl)acrylamide Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C=CC2=CC=C(C=C2)C3=C(N=C(N=C3N)N)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C=CC2=CC=C(C=C2)C3=C(N=C(N=C3N)N)C

InChI

InChI=1S/C21H21N5O/c1-13-4-3-5-17(12-13)25-18(27)11-8-15-6-9-16(10-7-15)19-14(2)24-21(23)26-20(19)22/h3-12H,1-2H3,(H,25,27)(H4,22,23,24,26)