3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]sulfanyl]phenol

Systemtic Name: 3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]sulfanyl]phenol Openeye Name: 3-[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]sulfanylphenol CAS Name: 3-[[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]thio]phenol IUPAC Name: 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]sulfanyl]phenol Traditional Name: 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]thio]phenol Formula: C19H15N3OS2 MolecularWeight: 365.4719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)SC3=CC=CC(=C3)O)C4=NC(=NC=C4)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)SC3=CC=CC(=C3)O)C4=NC(=NC=C4)N

InChI

InChI=1S/C19H15N3OS2/c1-11-15-10-14(24-13-4-2-3-12(23)9-13)5-6-17(15)25-18(11)16-7-8-21-19(20)22-16/h2-10,23H,1H3,(H2,20,21,22)