N-[(4-butylphenyl)-thiophen-2-yl-methyl]-3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanamide

Systemtic Name: N-[(4-butylphenyl)-thiophen-2-yl-methyl]-3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanamide Openeye Name: N-[(4-butylphenyl)-(2-thienyl)methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide CAS Name: N-[(4-butylphenyl)-thiophen-2-ylmethyl]-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanamide IUPAC Name: N-[(4-butylphenyl)-thiophen-2-ylmethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide Traditional Name: N-[(4-butylphenyl)-(2-thienyl)methyl]-3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propionamide Formula: C24H25N3O2S2 MolecularWeight: 451.6042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C24H25N3O2S2/c1-2-3-5-17-7-9-18(10-8-17)22(20-6-4-14-30-20)26-21(28)11-13-27-16-25-23-19(24(27)29)12-15-31-23/h4,6-10,12,14-16,22H,2-3,5,11,13H2,1H3,(H,26,28)