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

Systemtic Name: 4-(4-methylpentoxy)-2-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 4-isohexyloxy-2-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 4-(4-methylpentoxy)-2-(methylthio)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methylpentoxy)-2-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 4-isohexyloxy-2-(methylthio)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC1=NC(=NC(=C1C#N)N2CCC3=CC=CC=C3CC2)SC

Isomeric SMILES

CC(C)CCCOC1=NC(=NC(=C1C#N)N2CCC3=CC=CC=C3CC2)SC

InChI

InChI=1S/C22H28N4OS/c1-16(2)7-6-14-27-21-19(15-23)20(24-22(25-21)28-3)26-12-10-17-8-4-5-9-18(17)11-13-26/h4-5,8-9,16H,6-7,10-14H2,1-3H3