1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-4-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-4-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-4-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-methyl-isonipecotamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=C(N1)C=CS2)C(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CN(CC1=NC(=O)C2=C(N1)C=CS2)C(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C21H21N5O3S/c1-25(12-17-22-15-8-11-30-18(15)19(27)24-17)20(28)13-6-9-26(10-7-13)21-23-14-4-2-3-5-16(14)29-21/h2-5,8,11,13H,6-7,9-10,12H2,1H3,(H,22,24,27)