(E)-N-(2-aminophenyl)-3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]prop-2-enamide

Systemtic Name: (E)-N-(2-aminophenyl)-3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]prop-2-enamide Openeye Name: (E)-N-(2-aminophenyl)-3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]prop-2-enamide CAS Name: (E)-N-(2-aminophenyl)-3-[2-[(4-methoxyphenyl)methylamino]-5-pyrimidinyl]-2-propenamide IUPAC Name: (E)-N-(2-aminophenyl)-3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]prop-2-enamide Traditional Name: (E)-N-(2-aminophenyl)-3-[2-(p-anisylamino)pyrimidin-5-yl]acrylamide Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC=C(C=N2)C=CC(=O)NC3=CC=CC=C3N

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC=C(C=N2)/C=C/C(=O)NC3=CC=CC=C3N

InChI

InChI=1S/C21H21N5O2/c1-28-17-9-6-15(7-10-17)12-23-21-24-13-16(14-25-21)8-11-20(27)26-19-5-3-2-4-18(19)22/h2-11,13-14H,12,22H2,1H3,(H,26,27)(H,23,24,25)/b11-8+