4-methyl-N-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine

Systemtic Name: 4-methyl-N-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: 4-methyl-N-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: 4-methyl-N-[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: 4-methyl-N-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: (4-methyl-1,3-benzothiazol-2-yl)-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H19N7O2S MolecularWeight: 385.44346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C

InChI

InChI=1S/C17H19N7O2S/c1-11-4-3-5-12-13(11)20-17(27-12)21-15-14(24(25)26)16(19-10-18-15)23-8-6-22(2)7-9-23/h3-5,10H,6-9H2,1-2H3,(H,18,19,20,21)