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

Systemtic Name: N-(6-cyclohexyloxy-5-nitro-pyrimidin-4-yl)-4-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[6-(cyclohexoxy)-5-nitro-pyrimidin-4-yl]-4-methyl-1,3-benzothiazol-2-amine CAS Name: N-(6-cyclohexyloxy-5-nitro-4-pyrimidinyl)-4-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-4-methyl-1,3-benzothiazol-2-amine Traditional Name: [6-(cyclohexoxy)-5-nitro-pyrimidin-4-yl]-(4-methyl-1,3-benzothiazol-2-yl)amine Formula: C18H19N5O3S MolecularWeight: 385.44016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)OC4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)OC4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O3S/c1-11-6-5-9-13-14(11)21-18(27-13)22-16-15(23(24)25)17(20-10-19-16)26-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,19,20,21,22)