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

Systemtic Name: 4-[3-methyl-5-(3-nitrophenoxy)-1-benzothiophen-2-yl]pyrimidin-2-amine Openeye Name: 4-[3-methyl-5-(3-nitrophenoxy)benzothiophen-2-yl]pyrimidin-2-amine CAS Name: 4-[3-methyl-5-(3-nitrophenoxy)-1-benzothiophen-2-yl]-2-pyrimidinamine IUPAC Name: 4-[3-methyl-5-(3-nitrophenoxy)-1-benzothiophen-2-yl]pyrimidin-2-amine Traditional Name: [4-[3-methyl-5-(3-nitrophenoxy)benzothiophen-2-yl]pyrimidin-2-yl]amine Formula: C19H14N4O3S MolecularWeight: 378.40446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)OC3=CC=CC(=C3)[N+](=O)[O-])C4=NC(=NC=C4)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)OC3=CC=CC(=C3)[N+](=O)[O-])C4=NC(=NC=C4)N

InChI

InChI=1S/C19H14N4O3S/c1-11-15-10-14(26-13-4-2-3-12(9-13)23(24)25)5-6-17(15)27-18(11)16-7-8-21-19(20)22-16/h2-10H,1H3,(H2,20,21,22)