3-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCCN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O4S/c1-14-2-8-17(9-3-14)28-11-10-23-13-22-20-19(21(23)25)18(12-29-20)15-4-6-16(7-5-15)24(26)27/h2-9,12-13H,10-11H2,1H3