methyl (E)-4-[(5-methanoyl-2,6-dimethoxy-pyrimidin-4-yl)-(phenylmethyl)amino]but-2-enoate

Systemtic Name: methyl (E)-4-[(5-methanoyl-2,6-dimethoxy-pyrimidin-4-yl)-(phenylmethyl)amino]but-2-enoate Openeye Name: methyl (E)-4-[benzyl-(5-formyl-2,6-dimethoxy-pyrimidin-4-yl)amino]but-2-enoate CAS Name: (E)-4-[(5-formyl-2,6-dimethoxy-4-pyrimidinyl)-(phenylmethyl)amino]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[benzyl-(5-formyl-2,6-dimethoxypyrimidin-4-yl)amino]but-2-enoate Traditional Name: (E)-4-[benzyl-(5-formyl-2,6-dimethoxy-pyrimidin-4-yl)amino]but-2-enoic acid methyl ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1C=O)N(CC=CC(=O)OC)CC2=CC=CC=C2)OC

Isomeric SMILES

COC1=NC(=NC(=C1C=O)N(C/C=C/C(=O)OC)CC2=CC=CC=C2)OC

InChI

InChI=1S/C19H21N3O5/c1-25-16(24)10-7-11-22(12-14-8-5-4-6-9-14)17-15(13-23)18(26-2)21-19(20-17)27-3/h4-10,13H,11-12H2,1-3H3/b10-7+