1-(7-phenylpteridin-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(7-phenylpteridin-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(7-phenylpteridin-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(7-phenyl-4-pteridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(7-phenylpteridin-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(7-phenylpteridin-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)isonipecotamide Formula: C25H25N7OS MolecularWeight: 471.5773

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)NC(=O)C3CCN(CC3)C4=NC=NC5=NC(=CN=C54)C6=CC=CC=C6

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)NC(=O)C3CCN(CC3)C4=NC=NC5=NC(=CN=C54)C6=CC=CC=C6

InChI

InChI=1S/C25H25N7OS/c33-24(31-25-30-18-8-4-5-9-20(18)34-25)17-10-12-32(13-11-17)23-21-22(27-15-28-23)29-19(14-26-21)16-6-2-1-3-7-16/h1-3,6-7,14-15,17H,4-5,8-13H2,(H,30,31,33)