5-chloranyl-N-[(3-methoxy-4-prop-2-enoxy-phenyl)methyl]-2-methylsulfanyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[(3-methoxy-4-prop-2-enoxy-phenyl)methyl]-2-methylsulfanyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide Openeye Name: N-[(4-allyloxy-3-methoxy-phenyl)methyl]-5-chloro-2-methylsulfanyl-N-(tetrahydrofuran-2-ylmethyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2-(methylthio)-N-(2-oxolanylmethyl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2-methylsulfanyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide Traditional Name: N-(4-allyloxy-3-methoxy-benzyl)-5-chloro-2-(methylthio)-N-(tetrahydrofurfuryl)pyrimidine-4-carboxamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(CC2CCCO2)C(=O)C3=NC(=NC=C3Cl)SC)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)CN(CC2CCCO2)C(=O)C3=NC(=NC=C3Cl)SC)OCC=C

InChI

InChI=1S/C22H26ClN3O4S/c1-4-9-30-18-8-7-15(11-19(18)28-2)13-26(14-16-6-5-10-29-16)21(27)20-17(23)12-24-22(25-20)31-3/h4,7-8,11-12,16H,1,5-6,9-10,13-14H2,2-3H3