N4-cyclohexyl-N6-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-cyclohexyl-N6-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cyclohexyl-N6-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cyclohexyl-N6-(4-methyl-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cyclohexyl-6-N-(4-methyl-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: cyclohexyl-[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)NC4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)NC4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O2S/c1-11-6-5-9-13-14(11)22-18(27-13)23-17-15(24(25)26)16(19-10-20-17)21-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H2,19,20,21,22,23)