[2-(2-hexadecyl-4-methoxy-piperazin-1-yl)-5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl]methanolate

Systemtic Name: [2-(2-hexadecyl-4-methoxy-piperazin-1-yl)-5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl]methanolate Openeye Name: [2-(2-hexadecyl-4-methoxy-piperazin-1-yl)-5-nitro-6-thiomorpholino-pyrimidin-4-yl]methanolate CAS Name: [2-(2-hexadecyl-4-methoxy-1-piperazinyl)-5-nitro-6-thiomorpholin-4-yl-4-pyrimidinyl]methanolate IUPAC Name: [2-(2-hexadecyl-4-methoxypiperazin-1-yl)-5-nitro-6-thiomorpholin-4-ylpyrimidin-4-yl]methanolate Traditional Name: [2-(2-cetyl-4-methoxy-piperazino)-5-nitro-6-thiomorpholino-pyrimidin-4-yl]methanolate Formula: C30H53N6O4S- MolecularWeight: 593.84462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1CN(CCN1C2=NC(=C(C(=N2)N3CCSCC3)[N+](=O)[O-])C[O-])OC

Isomeric SMILES

CCCCCCCCCCCCCCCCC1CN(CCN1C2=NC(=C(C(=N2)N3CCSCC3)[N+](=O)[O-])C[O-])OC

InChI

InChI=1S/C30H53N6O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-24-34(40-2)18-19-35(26)30-31-27(25-37)28(36(38)39)29(32-30)33-20-22-41-23-21-33/h26H,3-25H2,1-2H3/q-1