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

Systemtic Name: 5-(3-methoxyphenyl)-6-methyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(3-methoxyphenyl)-6-methyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(3-methoxyphenyl)-6-methyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(3-methoxyphenyl)-6-methyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(3-methoxyphenyl)-6-methyl-2-(4-nitrobenzyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H17N3O4S MolecularWeight: 407.44238

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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(=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O4S/c1-12-18(14-4-3-5-16(11-14)28-2)19-20(25)22-17(23-21(19)29-12)10-13-6-8-15(9-7-13)24(26)27/h3-9,11H,10H2,1-2H3,(H,22,23,25)