N2-(2-methoxyethyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine

Systemtic Name: N2-(2-methoxyethyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine Openeye Name: 6-(4-benzyl-1-piperidyl)-N2-(2-methoxyethyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(2-methoxyethyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-benzylpiperidino)-5-nitro-pyrimidin-2-yl]-(2-methoxyethyl)amine Formula: C19H26N6O3 MolecularWeight: 386.44814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H26N6O3/c1-28-12-9-21-19-22-17(20)16(25(26)27)18(23-19)24-10-7-15(8-11-24)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H3,20,21,22,23)