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

Systemtic Name: 4-[3-methyl-5-(phenylmethyl)-1-benzothiophen-2-yl]pyrimidin-2-amine Openeye Name: 4-(5-benzyl-3-methyl-benzothiophen-2-yl)pyrimidin-2-amine CAS Name: 4-[3-methyl-5-(phenylmethyl)-1-benzothiophen-2-yl]-2-pyrimidinamine IUPAC Name: 4-(5-benzyl-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine Traditional Name: [4-(5-benzyl-3-methyl-benzothiophen-2-yl)pyrimidin-2-yl]amine Formula: C20H17N3S MolecularWeight: 331.43408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3S/c1-13-16-12-15(11-14-5-3-2-4-6-14)7-8-18(16)24-19(13)17-9-10-22-20(21)23-17/h2-10,12H,11H2,1H3,(H2,21,22,23)