3,6-dimethyl-2-[1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-pentan-2-yl]sulfanyl-pyrimidin-4-one

Systemtic Name: 3,6-dimethyl-2-[1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-pentan-2-yl]sulfanyl-pyrimidin-4-one Openeye Name: 3,6-dimethyl-2-[1-[4-(4-nitrophenyl)piperazine-1-carbonyl]butylsulfanyl]pyrimidin-4-one CAS Name: 3,6-dimethyl-2-[[1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxopentan-2-yl]thio]-4-pyrimidinone IUPAC Name: 3,6-dimethyl-2-[1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxopentan-2-yl]sulfanylpyrimidin-4-one Traditional Name: 3,6-dimethyl-2-[1-[4-(4-nitrophenyl)piperazine-1-carbonyl]butylthio]pyrimidin-4-one Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])SC3=NC(=CC(=O)N3C)C

Isomeric SMILES

CCCC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])SC3=NC(=CC(=O)N3C)C

InChI

InChI=1S/C21H27N5O4S/c1-4-5-18(31-21-22-15(2)14-19(27)23(21)3)20(28)25-12-10-24(11-13-25)16-6-8-17(9-7-16)26(29)30/h6-9,14,18H,4-5,10-13H2,1-3H3