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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C20H23N5OS/c1-13-10-16(14(2)25(13)9-8-15-6-4-3-5-7-15)17(26)12-27-20-23-18(21)11-19(22)24-20/h3-7,10-11H,8-9,12H2,1-2H3,(H4,21,22,23,24)