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

Systemtic Name: 4-[5-[azanyl-(3-methoxyphenyl)methyl]-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine Openeye Name: 4-[5-[amino-(3-methoxyphenyl)methyl]-3-methyl-benzothiophen-2-yl]pyrimidin-2-amine CAS Name: 4-[5-[amino-(3-methoxyphenyl)methyl]-3-methyl-1-benzothiophen-2-yl]-2-pyrimidinamine IUPAC Name: 4-[5-[amino-(3-methoxyphenyl)methyl]-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine Traditional Name: [4-[5-[amino-(3-methoxyphenyl)methyl]-3-methyl-benzothiophen-2-yl]pyrimidin-2-yl]amine Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4OS/c1-12-16-11-14(19(22)13-4-3-5-15(10-13)26-2)6-7-18(16)27-20(12)17-8-9-24-21(23)25-17/h3-11,19H,22H2,1-2H3,(H2,23,24,25)