4-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carbonitrile Openeye Name: 4-[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-2-oxo-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carbonitrile CAS Name: 4-[[2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-2-oxoethyl]thio]-2,6-dimethyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]sulfanyl-2,6-dimethylpyrimidine-5-carbonitrile Traditional Name: 4-[[2-[4-[(5-chloro-2-thienyl)methyl]piperazino]-2-keto-ethyl]thio]-2,6-dimethyl-pyrimidine-5-carbonitrile Formula: C18H20ClN5OS2 MolecularWeight: 421.9673

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)N2CCN(CC2)CC3=CC=C(S3)Cl)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)N2CCN(CC2)CC3=CC=C(S3)Cl)C#N

InChI

InChI=1S/C18H20ClN5OS2/c1-12-15(9-20)18(22-13(2)21-12)26-11-17(25)24-7-5-23(6-8-24)10-14-3-4-16(19)27-14/h3-4H,5-8,10-11H2,1-2H3