4-phenylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine

Systemtic Name: 4-phenylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine Openeye Name: 4-phenylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine CAS Name: 4-(phenylthio)-N-[(3,4,5-trimethoxyphenyl)methyl]-2-pyrimidinamine IUPAC Name: 4-phenylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine Traditional Name: [4-(phenylthio)pyrimidin-2-yl]-(3,4,5-trimethoxybenzyl)amine Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=NC=CC(=N2)SC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=NC=CC(=N2)SC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3S/c1-24-16-11-14(12-17(25-2)19(16)26-3)13-22-20-21-10-9-18(23-20)27-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,21,22,23)