N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]-3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanamide

Systemtic Name: N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]-3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)-4-piperidyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidinyl]-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)-4-piperidyl]-3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propionamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CCN2C=NC3=C(C2=O)C=CS3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC(=O)CCN2C=NC3=C(C2=O)C=CS3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O3S/c28-19(8-12-27-15-23-21-18(22(27)30)9-13-31-21)24-17-6-10-26(11-7-17)14-20(29)25-16-4-2-1-3-5-16/h1-5,9,13,15,17H,6-8,10-12,14H2,(H,24,28)(H,25,29)