5-[3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5-[3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-[3-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-3-oxo-propyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-[3-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-3-oxopropyl]-6-methyl-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-3-oxopropyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 5-[3-[4-(4-chloro-2-nitro-phenyl)piperazino]-3-keto-propyl]-6-methyl-2-(methylthio)-1H-pyrimidin-4-one Formula: C19H22ClN5O4S MolecularWeight: 451.92708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H22ClN5O4S/c1-12-14(18(27)22-19(21-12)30-2)4-6-17(26)24-9-7-23(8-10-24)15-5-3-13(20)11-16(15)25(28)29/h3,5,11H,4,6-10H2,1-2H3,(H,21,22,27)