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

Systemtic Name: (2S)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-ethoxyphenyl)propan-1-one Openeye Name: (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)propan-1-one CAS Name: (2S)-2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(4-ethoxyphenyl)-1-propanone IUPAC Name: (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)propan-1-one Traditional Name: (2S)-2-[(4,6-diaminopyrimidin-2-yl)thio]-1-p-phenetyl-propan-1-one Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C15H18N4O2S/c1-3-21-11-6-4-10(5-7-11)14(20)9(2)22-15-18-12(16)8-13(17)19-15/h4-9H,3H2,1-2H3,(H4,16,17,18,19)/t9-/m0/s1