3-(3-cyclopropyl-4-methyl-5-morpholin-4-ylcarbonyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl)benzenecarbonitrile

Systemtic Name: 3-(3-cyclopropyl-4-methyl-5-morpholin-4-ylcarbonyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl)benzenecarbonitrile Openeye Name: 3-[3-cyclopropyl-4-methyl-5-(morpholine-4-carbonyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzonitrile CAS Name: 3-[3-cyclopropyl-4-methyl-5-[4-morpholinyl(oxo)methyl]-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzonitrile IUPAC Name: 3-[3-cyclopropyl-4-methyl-5-(morpholine-4-carbonyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzonitrile Traditional Name: 3-[3-cyclopropyl-4-methyl-5-(morpholine-4-carbonyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzonitrile Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CC2)C3=CC=CC(=C3)C#N)C(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C(NC(=S)N1C2CC2)C3=CC=CC(=C3)C#N)C(=O)N4CCOCC4

InChI

InChI=1S/C20H22N4O2S/c1-13-17(19(25)23-7-9-26-10-8-23)18(15-4-2-3-14(11-15)12-21)22-20(27)24(13)16-5-6-16/h2-4,11,16,18H,5-10H2,1H3,(H,22,27)