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

Systemtic Name: 4-methyl-N-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)-1,3-benzothiazol-2-amine Openeye Name: 4-methyl-N-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)-1,3-benzothiazol-2-amine CAS Name: 4-methyl-N-[5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: 4-methyl-N-(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-benzothiazol-2-amine Traditional Name: (4-methyl-1,3-benzothiazol-2-yl)-(5-nitro-6-pyrrolidino-pyrimidin-4-yl)amine Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C16H16N6O2S/c1-10-5-4-6-11-12(10)19-16(25-11)20-14-13(22(23)24)15(18-9-17-14)21-7-2-3-8-21/h4-6,9H,2-3,7-8H2,1H3,(H,17,18,19,20)