1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide

Systemtic Name: 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide Openeye Name: 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide CAS Name: 1-(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-piperidinecarboxamide IUPAC Name: 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide Traditional Name: 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-keto-4H-1,4-benzoxazin-6-yl)isonipecotamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCC(=O)N5)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCC(=O)N5)C

InChI

InChI=1S/C22H23N5O3S/c1-12-13(2)31-22-19(12)20(23-11-24-22)27-7-5-14(6-8-27)21(29)25-15-3-4-17-16(9-15)26-18(28)10-30-17/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,25,29)(H,26,28)