2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(2,5-dimethyl-1-propyl-3-pyrrolyl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2,5-dimethyl-1-propylpyrrol-3-yl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone Formula: C15H21N5OS MolecularWeight: 319.42514

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CSC2=NC(=CC(=N2)N)N)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CSC2=NC(=CC(=N2)N)N)C

InChI

InChI=1S/C15H21N5OS/c1-4-5-20-9(2)6-11(10(20)3)12(21)8-22-15-18-13(16)7-14(17)19-15/h6-7H,4-5,8H2,1-3H3,(H4,16,17,18,19)