2-[(3-butyl-4-oxidanylidene-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[(3-butyl-4-oxidanylidene-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-propan-2-yl-ethanamide Openeye Name: 2-[(3-butyl-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-isopropyl-acetamide CAS Name: 2-[(3-butyl-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)thio]-N-propan-2-ylacetamide IUPAC Name: 2-[(3-butyl-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide Traditional Name: 2-[(3-butyl-4-keto-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)thio]-N-isopropyl-acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C(=CN2)C3=CC=CC=C3)N=C1SCC(=O)NC(C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C(=CN2)C3=CC=CC=C3)N=C1SCC(=O)NC(C)C

InChI

InChI=1S/C21H26N4O2S/c1-4-5-11-25-20(27)19-18(16(12-22-19)15-9-7-6-8-10-15)24-21(25)28-13-17(26)23-14(2)3/h6-10,12,14,22H,4-5,11,13H2,1-3H3,(H,23,26)