2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C17H21N5O3S2 MolecularWeight: 407.51034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)N

InChI

InChI=1S/C17H21N5O3S2/c1-12-9-15(18)21-17(19-12)26-11-16(23)20-13-5-4-6-14(10-13)27(24,25)22-7-2-3-8-22/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,20,23)(H2,18,19,21)