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

Systemtic Name: 3-[azanyl-[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]phenol Openeye Name: 3-[amino-[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]phenol CAS Name: 3-[amino-[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]methyl]phenol IUPAC Name: 3-[amino-[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]phenol Traditional Name: 3-[amino-[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]phenol Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4OS/c1-11-15-10-13(18(21)12-3-2-4-14(25)9-12)5-6-17(15)26-19(11)16-7-8-23-20(22)24-16/h2-10,18,25H,21H2,1H3,(H2,22,23,24)