6-azanyl-2-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl]thio]-1H-pyrimidin-4-one Formula: C18H23N5O4S2 MolecularWeight: 437.53632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC(=O)C=C(N3)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC(=O)C=C(N3)N)C

InChI

InChI=1S/C18H23N5O4S2/c1-12-3-4-14(13(2)9-12)29(26,27)23-7-5-22(6-8-23)17(25)11-28-18-20-15(19)10-16(24)21-18/h3-4,9-10H,5-8,11H2,1-2H3,(H3,19,20,21,24)