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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-pteridin-4-yl-piperidine-4-carboxamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-pteridin-4-yl-piperidine-4-carboxamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(4-pteridinyl)-4-piperidinecarboxamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-pteridin-4-ylpiperidine-4-carboxamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-pteridin-4-yl-isonipecotamide Formula: C20H19N7OS MolecularWeight: 405.47616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C4=NC=NC5=NC=CN=C54

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C4=NC=NC5=NC=CN=C54

InChI

InChI=1S/C20H19N7OS/c1-12-2-3-14-15(10-12)29-20(25-14)26-19(28)13-4-8-27(9-5-13)18-16-17(23-11-24-18)22-7-6-21-16/h2-3,6-7,10-11,13H,4-5,8-9H2,1H3,(H,25,26,28)