2-[4-oxidanylidene-3-(phenylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: 2-[4-oxidanylidene-3-(phenylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 2-(3-benzyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(3-pyridylmethyl)butanamide CAS Name: 2-[[4-oxo-3-(phenylmethyl)-2-thieno[3,2-d]pyrimidinyl]thio]-N-(3-pyridinylmethyl)butanamide IUPAC Name: 2-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 2-[(3-benzyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]-N-(3-pyridylmethyl)butyramide Formula: C23H22N4O2S2 MolecularWeight: 450.57638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=C(C(=O)N2CC4=CC=CC=C4)SC=C3

Isomeric SMILES

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=C(C(=O)N2CC4=CC=CC=C4)SC=C3

InChI

InChI=1S/C23H22N4O2S2/c1-2-19(21(28)25-14-17-9-6-11-24-13-17)31-23-26-18-10-12-30-20(18)22(29)27(23)15-16-7-4-3-5-8-16/h3-13,19H,2,14-15H2,1H3,(H,25,28)