4-methyl-6-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-2-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-methyl-6-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-2-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-methyl-6-(2-morpholino-2-oxo-ethyl)sulfanyl-2-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-methyl-6-[[2-(4-morpholinyl)-2-oxoethyl]thio]-2-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-methyl-6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-2-phenylpyrimidine-5-carbonitrile Traditional Name: 4-[(2-keto-2-morpholino-ethyl)thio]-6-methyl-2-phenyl-pyrimidine-5-carbonitrile Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)N3CCOCC3)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)N3CCOCC3)C#N

InChI

InChI=1S/C18H18N4O2S/c1-13-15(11-19)18(21-17(20-13)14-5-3-2-4-6-14)25-12-16(23)22-7-9-24-10-8-22/h2-6H,7-10,12H2,1H3