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

Systemtic Name: 5-nitro-N4-(phenylmethyl)-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-5-nitro-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(phenylmethyl)-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-5-nitro-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amine Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O2S/c23-22(24)15-16(18-9-8-14-7-4-10-25-14)20-12-21-17(15)19-11-13-5-2-1-3-6-13/h1-7,10,12H,8-9,11H2,(H2,18,19,20,21)