2-azanyl-6-methyl-5-nitro-4-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylsulfinyl]phenyl]-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2-azanyl-6-methyl-5-nitro-4-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylsulfinyl]phenyl]-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-amino-6-methyl-5-nitro-4-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylsulfinyl]phenyl]-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-amino-6-methyl-5-nitro-4-[2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butylsulfinyl]phenyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-amino-6-methyl-5-nitro-4-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylsulfinyl]phenyl]-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-amino-6-methyl-5-nitro-4-[2-[4-[4-(2-pyrimidyl)piperazino]butylsulfinyl]phenyl]-1,4-dihydropyridine-3-carboxylic acid Formula: C25H31N7O5S MolecularWeight: 541.62254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)N)C(=O)O)C2=CC=CC=C2S(=O)CCCCN3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)N)C(=O)O)C2=CC=CC=C2S(=O)CCCCN3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C25H31N7O5S/c1-17-22(32(35)36)20(21(24(33)34)23(26)29-17)18-7-2-3-8-19(18)38(37)16-5-4-11-30-12-14-31(15-13-30)25-27-9-6-10-28-25/h2-3,6-10,20,29H,4-5,11-16,26H2,1H3,(H,33,34)