(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 3-azanylpyrazine-2-carboxylate

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 3-azanylpyrazine-2-carboxylate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C20H24N6O5S MolecularWeight: 460.50676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=NC=CN=C4N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=NC=CN=C4N

InChI

InChI=1S/C20H24N6O5S/c1-2-7-26-16-4-3-14(32(28,29)25-8-10-30-11-9-25)12-15(16)24-17(26)13-31-20(27)18-19(21)23-6-5-22-18/h3-6,12H,2,7-11,13H2,1H3,(H2,21,23)