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

Systemtic Name: 5-(4-chlorophenyl)-6-methyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-chlorophenyl)-6-methyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-chlorophenyl)-6-methyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-chlorophenyl)-6-methyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-chlorophenyl)-6-methyl-2-(4-nitrobenzyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H14ClN3O3S MolecularWeight: 411.86146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H14ClN3O3S/c1-11-17(13-4-6-14(21)7-5-13)18-19(25)22-16(23-20(18)28-11)10-12-2-8-15(9-3-12)24(26)27/h2-9H,10H2,1H3,(H,22,23,25)