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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCCN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O4S/c25-21-19-18(15-7-9-16(10-8-15)24(26)27)13-29-20(19)22-14-23(21)11-4-12-28-17-5-2-1-3-6-17/h1-3,5-10,13-14H,4,11-12H2