4-[4-imidazol-1-yl-6-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]thiomorpholine

Systemtic Name: 4-[4-imidazol-1-yl-6-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]thiomorpholine Openeye Name: 4-[4-imidazol-1-yl-6-(4-phenyl-1-piperidyl)-1,3,5-triazin-2-yl]thiomorpholine CAS Name: 4-[4-(1-imidazolyl)-6-(4-phenyl-1-piperidinyl)-1,3,5-triazin-2-yl]thiomorpholine IUPAC Name: 4-[4-imidazol-1-yl-6-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]thiomorpholine Traditional Name: 4-[4-imidazol-1-yl-6-(4-phenylpiperidino)-s-triazin-2-yl]thiomorpholine Formula: C21H25N7S MolecularWeight: 407.5351

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)C3=NC(=NC(=N3)N4C=CN=C4)N5CCSCC5

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)C3=NC(=NC(=N3)N4C=CN=C4)N5CCSCC5

InChI

InChI=1S/C21H25N7S/c1-2-4-17(5-3-1)18-6-9-26(10-7-18)19-23-20(27-12-14-29-15-13-27)25-21(24-19)28-11-8-22-16-28/h1-5,8,11,16,18H,6-7,9-10,12-15H2