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

Systemtic Name: 3-(3-methylbutyl)-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-isopentyl-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(3-methylbutyl)-5-(3-nitrophenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(3-methylbutyl)-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-isoamyl-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=NC2=C(C1=O)C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN1C=NC2=C(C1=O)C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3S/c1-11(2)6-7-19-10-18-16-15(17(19)21)14(9-24-16)12-4-3-5-13(8-12)20(22)23/h3-5,8-11H,6-7H2,1-2H3