4-azanyl-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-(1-azepanyl)-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]pyrimidine-5-carbonitrile Formula: C13H17N5OS MolecularWeight: 291.37198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C13H17N5OS/c14-7-10-8-16-13(17-12(10)15)20-9-11(19)18-5-3-1-2-4-6-18/h8H,1-6,9H2,(H2,15,16,17)