4-azanyl-2-[2-oxidanylidene-2-(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-7-yl)ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-oxidanylidene-2-(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-7-yl)ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-oxo-2-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-oxo-2-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)ethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-oxo-2-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)ethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-keto-2-(2-keto-1,3,4,5-tetrahydro-1-benzazepin-7-yl)ethyl]thio]pyrimidine-5-carbonitrile Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)CSC3=NC=C(C(=N3)N)C#N)NC(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)CSC3=NC=C(C(=N3)N)C#N)NC(=O)C1

InChI

InChI=1S/C17H15N5O2S/c18-7-12-8-20-17(22-16(12)19)25-9-14(23)11-4-5-13-10(6-11)2-1-3-15(24)21-13/h4-6,8H,1-3,9H2,(H,21,24)(H2,19,20,22)