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

Systemtic Name: 4-[5-[(2,5-dimethoxyphenyl)methyl]-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine Openeye Name: 4-[5-[(2,5-dimethoxyphenyl)methyl]-3-methyl-benzothiophen-2-yl]pyrimidin-2-amine CAS Name: 4-[5-[(2,5-dimethoxyphenyl)methyl]-3-methyl-1-benzothiophen-2-yl]-2-pyrimidinamine IUPAC Name: 4-[5-[(2,5-dimethoxyphenyl)methyl]-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine Traditional Name: [4-[5-(2,5-dimethoxybenzyl)-3-methyl-benzothiophen-2-yl]pyrimidin-2-yl]amine Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)CC3=C(C=CC(=C3)OC)OC)C4=NC(=NC=C4)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)CC3=C(C=CC(=C3)OC)OC)C4=NC(=NC=C4)N

InChI

InChI=1S/C22H21N3O2S/c1-13-17-11-14(10-15-12-16(26-2)5-6-19(15)27-3)4-7-20(17)28-21(13)18-8-9-24-22(23)25-18/h4-9,11-12H,10H2,1-3H3,(H2,23,24,25)