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

Systemtic Name: 3-butyl-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-butyl-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-butyl-5-(3-nitrophenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-butyl-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-butyl-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C(C1=O)C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C=NC2=C(C1=O)C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O3S/c1-2-3-7-18-10-17-15-14(16(18)20)13(9-23-15)11-5-4-6-12(8-11)19(21)22/h4-6,8-10H,2-3,7H2,1H3