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

Systemtic Name: 4-[5-[(2-methoxyphenyl)methyl]-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine Openeye Name: 4-[5-[(2-methoxyphenyl)methyl]-3-methyl-benzothiophen-2-yl]pyrimidin-2-amine CAS Name: 4-[5-[(2-methoxyphenyl)methyl]-3-methyl-1-benzothiophen-2-yl]-2-pyrimidinamine IUPAC Name: 4-[5-[(2-methoxyphenyl)methyl]-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine Traditional Name: [4-(3-methyl-5-o-anisyl-benzothiophen-2-yl)pyrimidin-2-yl]amine Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)CC3=CC=CC=C3OC)C4=NC(=NC=C4)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)CC3=CC=CC=C3OC)C4=NC(=NC=C4)N

InChI

InChI=1S/C21H19N3OS/c1-13-16-12-14(11-15-5-3-4-6-18(15)25-2)7-8-19(16)26-20(13)17-9-10-23-21(22)24-17/h3-10,12H,11H2,1-2H3,(H2,22,23,24)