N-cyclopentyl-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-cyclopentyl-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-cyclopentyl-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-cyclopentyl-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-cyclopentyl-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: cyclopentyl-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C16H18N4O2S MolecularWeight: 330.40472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3CCCC3

InChI

InChI=1S/C16H18N4O2S/c1-11-6-8-13(9-7-11)23-16-14(20(21)22)15(17-10-18-16)19-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,17,18,19)