4-ethoxy-2-(2-methylsulfanylethyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile

Systemtic Name: 4-ethoxy-2-(2-methylsulfanylethyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 4-ethoxy-2-(2-methylsulfanylethyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 4-ethoxy-2-[2-(methylthio)ethyl]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 4-ethoxy-2-(2-methylsulfanylethyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 4-ethoxy-2-[2-(methylthio)ethyl]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C20H24N4OS MolecularWeight: 368.49576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=C1C#N)N2CCC3=CC=CC=C3CC2)CCSC

Isomeric SMILES

CCOC1=NC(=NC(=C1C#N)N2CCC3=CC=CC=C3CC2)CCSC

InChI

InChI=1S/C20H24N4OS/c1-3-25-20-17(14-21)19(22-18(23-20)10-13-26-2)24-11-8-15-6-4-5-7-16(15)9-12-24/h4-7H,3,8-13H2,1-2H3