2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-3-nitro-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-nitropyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazino]-3-nitro-pyrido[1,2-a]pyrimidin-4-one Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=O)N4C=CC=CC4=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=O)N4C=CC=CC4=N3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O5S/c1-22(2,3)16-7-9-17(10-8-16)33(31,32)25-14-12-24(13-15-25)20-19(27(29)30)21(28)26-11-5-4-6-18(26)23-20/h4-11H,12-15H2,1-3H3