5-(2-bromanyl-5-methyl-phenyl)-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(2-bromanyl-5-methyl-phenyl)-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-bromo-5-methyl-phenyl)-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-bromo-5-methylphenyl)-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(2-bromo-5-methylphenyl)-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-bromo-5-methyl-phenyl)-2-(4-nitrobenzyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H14BrN3O3S MolecularWeight: 456.31246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Br)C2=CSC3=C2C(=O)NC(=N3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)Br)C2=CSC3=C2C(=O)NC(=N3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14BrN3O3S/c1-11-2-7-16(21)14(8-11)15-10-28-20-18(15)19(25)22-17(23-20)9-12-3-5-13(6-4-12)24(26)27/h2-8,10H,9H2,1H3,(H,22,23,25)