N-[(3-methoxyphenyl)methyl]-4-[6-(prop-2-enylamino)pyrimidin-4-yl]benzamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-4-[6-(prop-2-enylamino)pyrimidin-4-yl]benzamide Openeye Name: 4-[6-(allylamino)pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]benzamide CAS Name: N-[(3-methoxyphenyl)methyl]-4-[6-(prop-2-enylamino)-4-pyrimidinyl]benzamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-4-[6-(prop-2-enylamino)pyrimidin-4-yl]benzamide Traditional Name: 4-[6-(allylamino)pyrimidin-4-yl]-N-m-anisyl-benzamide Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)C3=CC(=NC=N3)NCC=C

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)C3=CC(=NC=N3)NCC=C

InChI

InChI=1S/C22H22N4O2/c1-3-11-23-21-13-20(25-15-26-21)17-7-9-18(10-8-17)22(27)24-14-16-5-4-6-19(12-16)28-2/h3-10,12-13,15H,1,11,14H2,2H3,(H,24,27)(H,23,25,26)