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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[(4,6-diaminopyrimidin-2-yl)thio]ethanone Formula: C15H19N5OS MolecularWeight: 317.40926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C15H19N5OS/c1-4-5-20-9(2)6-11(10(20)3)12(21)8-22-15-18-13(16)7-14(17)19-15/h4,6-7H,1,5,8H2,2-3H3,(H4,16,17,18,19)