2-(4-chlorophenyl)-N-(1,1-dimethoxyethyl)-6-(4-methoxyphenyl)sulfanyl-pyrimidin-4-amine

Systemtic Name: 2-(4-chlorophenyl)-N-(1,1-dimethoxyethyl)-6-(4-methoxyphenyl)sulfanyl-pyrimidin-4-amine Openeye Name: 2-(4-chlorophenyl)-N-(1,1-dimethoxyethyl)-6-(4-methoxyphenyl)sulfanyl-pyrimidin-4-amine CAS Name: 2-(4-chlorophenyl)-N-(1,1-dimethoxyethyl)-6-[(4-methoxyphenyl)thio]-4-pyrimidinamine IUPAC Name: 2-(4-chlorophenyl)-N-(1,1-dimethoxyethyl)-6-(4-methoxyphenyl)sulfanylpyrimidin-4-amine Traditional Name: [2-(4-chlorophenyl)-6-[(4-methoxyphenyl)thio]pyrimidin-4-yl]-(1,1-dimethoxyethyl)amine Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC1=CC(=NC(=N1)C2=CC=C(C=C2)Cl)SC3=CC=C(C=C3)OC)(OC)OC

Isomeric SMILES

CC(NC1=CC(=NC(=N1)C2=CC=C(C=C2)Cl)SC3=CC=C(C=C3)OC)(OC)OC

InChI

InChI=1S/C21H22ClN3O3S/c1-21(27-3,28-4)25-18-13-19(29-17-11-9-16(26-2)10-12-17)24-20(23-18)14-5-7-15(22)8-6-14/h5-13H,1-4H3,(H,23,24,25)