2-methylsulfanyl-4-(2-morpholin-4-ylethylamino)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile

Systemtic Name: 2-methylsulfanyl-4-(2-morpholin-4-ylethylamino)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-(2-morpholinoethylamino)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 2-(methylthio)-4-[2-(4-morpholinyl)ethylamino]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 2-methylsulfanyl-4-(2-morpholin-4-ylethylamino)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-(2-morpholinoethylamino)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C22H28N6OS MolecularWeight: 424.56232

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NCCN2CCOCC2)C#N)N3CCC4=CC=CC=C4CC3

Isomeric SMILES

CSC1=NC(=C(C(=N1)NCCN2CCOCC2)C#N)N3CCC4=CC=CC=C4CC3

InChI

InChI=1S/C22H28N6OS/c1-30-22-25-20(24-8-11-27-12-14-29-15-13-27)19(16-23)21(26-22)28-9-6-17-4-2-3-5-18(17)7-10-28/h2-5H,6-15H2,1H3,(H,24,25,26)