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

Systemtic Name: N6-(1,3-benzothiazol-2-yl)-N4-cyclohexyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzothiazol-2-yl)-N4-cyclohexyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzothiazol-2-yl)-N4-cyclohexyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzothiazol-2-yl)-4-N-cyclohexyl-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H18N6O2S/c24-23(25)14-15(20-11-6-2-1-3-7-11)18-10-19-16(14)22-17-21-12-8-4-5-9-13(12)26-17/h4-5,8-11H,1-3,6-7H2,(H2,18,19,20,21,22)