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

Systemtic Name: N4-[(4-chlorophenyl)methyl]-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-[(4-chlorophenyl)methyl]-5-nitro-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-[(4-chlorophenyl)methyl]-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-[(4-chlorophenyl)methyl]-5-nitro-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: (4-chlorobenzyl)-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amine Formula: C17H16ClN5O2S MolecularWeight: 389.85924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CSC(=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN5O2S/c18-13-5-3-12(4-6-13)10-20-17-15(23(24)25)16(21-11-22-17)19-8-7-14-2-1-9-26-14/h1-6,9,11H,7-8,10H2,(H2,19,20,21,22)