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

Systemtic Name: 5-(3-methoxyphenyl)-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(3-methoxyphenyl)-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(3-methoxyphenyl)-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(3-methoxyphenyl)-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(3-methoxyphenyl)-2-(4-nitrobenzyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CSC3=C2C(=O)NC(=N3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=CSC3=C2C(=O)NC(=N3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O4S/c1-27-15-4-2-3-13(10-15)16-11-28-20-18(16)19(24)21-17(22-20)9-12-5-7-14(8-6-12)23(25)26/h2-8,10-11H,9H2,1H3,(H,21,22,24)