2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(C2=CC=CC=C2)C(=O)N3CCCC3)N

Isomeric SMILES

CC1=CC(=NC(=N1)SC(C2=CC=CC=C2)C(=O)N3CCCC3)N

InChI

InChI=1S/C17H20N4OS/c1-12-11-14(18)20-17(19-12)23-15(13-7-3-2-4-8-13)16(22)21-9-5-6-10-21/h2-4,7-8,11,15H,5-6,9-10H2,1H3,(H2,18,19,20)