N4-(diphenylmethyl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(diphenylmethyl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzhydryl-5-nitro-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-(diphenylmethyl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzhydryl-5-nitro-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: benzhydryl-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amine Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])NCCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])NCCC4=CC=CS4

InChI

InChI=1S/C23H21N5O2S/c29-28(30)21-22(24-14-13-19-12-7-15-31-19)25-16-26-23(21)27-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,15-16,20H,13-14H2,(H2,24,25,26,27)