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

Systemtic Name: 3-[2-(3-methylphenoxy)ethyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(3-methylphenoxy)ethyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(3-methylphenoxy)ethyl]-5-(4-nitrophenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(3-methylphenoxy)ethyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(3-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(=CC=C1)OCCN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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