N4-[(4-methylphenyl)methyl]-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-[(4-methylphenyl)methyl]-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(p-tolylmethyl)-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-[(4-methylphenyl)methyl]-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-[(4-methylphenyl)methyl]-5-nitro-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: (4-methylbenzyl)-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amine Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O2S/c1-13-4-6-14(7-5-13)11-20-18-16(23(24)25)17(21-12-22-18)19-9-8-15-3-2-10-26-15/h2-7,10,12H,8-9,11H2,1H3,(H2,19,20,21,22)