1-[4-[2-azanyl-6-(4-methoxyoxan-4-yl)pyrimidin-4-yl]sulfanylphenyl]ethanone

Systemtic Name: 1-[4-[2-azanyl-6-(4-methoxyoxan-4-yl)pyrimidin-4-yl]sulfanylphenyl]ethanone Openeye Name: 1-[4-[2-amino-6-(4-methoxytetrahydropyran-4-yl)pyrimidin-4-yl]sulfanylphenyl]ethanone CAS Name: 1-[4-[[2-amino-6-(4-methoxy-4-oxanyl)-4-pyrimidinyl]thio]phenyl]ethanone IUPAC Name: 1-[4-[2-amino-6-(4-methoxyoxan-4-yl)pyrimidin-4-yl]sulfanylphenyl]ethanone Traditional Name: 1-[4-[[2-amino-6-(4-methoxytetrahydropyran-4-yl)pyrimidin-4-yl]thio]phenyl]ethanone Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)SC2=NC(=NC(=C2)C3(CCOCC3)OC)N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)SC2=NC(=NC(=C2)C3(CCOCC3)OC)N

InChI

InChI=1S/C18H21N3O3S/c1-12(22)13-3-5-14(6-4-13)25-16-11-15(20-17(19)21-16)18(23-2)7-9-24-10-8-18/h3-6,11H,7-10H2,1-2H3,(H2,19,20,21)