5-(4-chloranyl-3-methyl-phenyl)-6-methyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-chloranyl-3-methyl-phenyl)-6-methyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-chloro-3-methyl-phenyl)-6-methyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-chloro-3-methylphenyl)-6-methyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-chloro-3-methylphenyl)-6-methyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-chloro-3-methyl-phenyl)-6-methyl-2-(4-nitrobenzyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(SC3=C2C(=O)NC(=N3)CC4=CC=C(C=C4)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(SC3=C2C(=O)NC(=N3)CC4=CC=C(C=C4)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C21H16ClN3O3S/c1-11-9-14(5-8-16(11)22)18-12(2)29-21-19(18)20(26)23-17(24-21)10-13-3-6-15(7-4-13)25(27)28/h3-9H,10H2,1-2H3,(H,23,24,26)