N-(6-methoxy-1,3-benzothiazol-2-yl)-1-pteridin-4-yl-piperidine-4-carboxamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-1-pteridin-4-yl-piperidine-4-carboxamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-1-pteridin-4-yl-piperidine-4-carboxamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-1-(4-pteridinyl)-4-piperidinecarboxamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-1-pteridin-4-ylpiperidine-4-carboxamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-1-pteridin-4-yl-isonipecotamide Formula: C20H19N7O2S MolecularWeight: 421.47556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C4=NC=NC5=NC=CN=C54

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C4=NC=NC5=NC=CN=C54

InChI

InChI=1S/C20H19N7O2S/c1-29-13-2-3-14-15(10-13)30-20(25-14)26-19(28)12-4-8-27(9-5-12)18-16-17(23-11-24-18)22-7-6-21-16/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,25,26,28)