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

Systemtic Name: 4-(3-imidazol-1-ylpropylamino)-2-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 4-(3-imidazol-1-ylpropylamino)-2-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 4-[3-(1-imidazolyl)propylamino]-2-(methylthio)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 4-(3-imidazol-1-ylpropylamino)-2-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 4-(3-imidazol-1-ylpropylamino)-2-(methylthio)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C22H25N7S MolecularWeight: 419.5458

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NCCCN2C=CN=C2)C#N)N3CCC4=CC=CC=C4CC3

Isomeric SMILES

CSC1=NC(=C(C(=N1)NCCCN2C=CN=C2)C#N)N3CCC4=CC=CC=C4CC3

InChI

InChI=1S/C22H25N7S/c1-30-22-26-20(25-9-4-11-28-14-10-24-16-28)19(15-23)21(27-22)29-12-7-17-5-2-3-6-18(17)8-13-29/h2-3,5-6,10,14,16H,4,7-9,11-13H2,1H3,(H,25,26,27)