2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(2,5-dimethylphenyl)propan-1-one

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(2,5-dimethylphenyl)propan-1-one Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(2,5-dimethylphenyl)-1-propanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(2,5-dimethylphenyl)propan-1-one Formula: C15H18N4OS MolecularWeight: 302.39462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C15H18N4OS/c1-8-4-5-9(2)11(6-8)14(20)10(3)21-15-18-12(16)7-13(17)19-15/h4-7,10H,1-3H3,(H4,16,17,18,19)