methyl (E)-3-[4-chloranyl-6-methyl-2-[(phenylmethyl)amino]pyrimidin-5-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-chloranyl-6-methyl-2-[(phenylmethyl)amino]pyrimidin-5-yl]prop-2-enoate Openeye Name: methyl (E)-3-[2-(benzylamino)-4-chloro-6-methyl-pyrimidin-5-yl]prop-2-enoate CAS Name: (E)-3-[4-chloro-6-methyl-2-[(phenylmethyl)amino]-5-pyrimidinyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[2-(benzylamino)-4-chloro-6-methylpyrimidin-5-yl]prop-2-enoate Traditional Name: (E)-3-[2-(benzylamino)-4-chloro-6-methyl-pyrimidin-5-yl]acrylic acid methyl ester Formula: C16H16ClN3O2 MolecularWeight: 317.77014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NCC2=CC=CC=C2)Cl)C=CC(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)NCC2=CC=CC=C2)Cl)/C=C/C(=O)OC

InChI

InChI=1S/C16H16ClN3O2/c1-11-13(8-9-14(21)22-2)15(17)20-16(19-11)18-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,18,19,20)/b9-8+