4-[5-(3-methoxyphenyl)sulfanyl-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine

Systemtic Name: 4-[5-(3-methoxyphenyl)sulfanyl-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine Openeye Name: 4-[5-(3-methoxyphenyl)sulfanyl-3-methyl-benzothiophen-2-yl]pyrimidin-2-amine CAS Name: 4-[5-[(3-methoxyphenyl)thio]-3-methyl-1-benzothiophen-2-yl]-2-pyrimidinamine IUPAC Name: 4-[5-(3-methoxyphenyl)sulfanyl-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine Traditional Name: [4-[5-[(3-methoxyphenyl)thio]-3-methyl-benzothiophen-2-yl]pyrimidin-2-yl]amine Formula: C20H17N3OS2 MolecularWeight: 379.49848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3OS2/c1-12-16-11-15(25-14-5-3-4-13(10-14)24-2)6-7-18(16)26-19(12)17-8-9-22-20(21)23-17/h3-11H,1-2H3,(H2,21,22,23)