2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(3-methyl-1-benzothiophen-2-yl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(3-methyl-1-benzothiophen-2-yl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(3-methylbenzothiophen-2-yl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(3-methyl-1-benzothiophen-2-yl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(3-methyl-1-benzothiophen-2-yl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(3-methylbenzothiophen-2-yl)ethanone Formula: C15H14N4OS2 MolecularWeight: 330.42786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C15H14N4OS2/c1-8-9-4-2-3-5-11(9)22-14(8)10(20)7-21-15-18-12(16)6-13(17)19-15/h2-6H,7H2,1H3,(H4,16,17,18,19)