5-cyclopropyl-2-[(4-nitrophenyl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-cyclopropyl-2-[(4-nitrophenyl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-5-cyclopropyl-2-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-cyclopropyl-2-[(4-nitrophenyl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-cyclopropyl-2-[(4-nitrophenyl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-5-cyclopropyl-2-[(4-nitrobenzyl)thio]thieno[2,3-d]pyrimidin-4-one Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)[N+](=O)[O-])SC=C2C4CC4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)[N+](=O)[O-])SC=C2C4CC4

InChI

InChI=1S/C19H17N3O3S2/c1-2-9-21-18(23)16-15(13-5-6-13)11-26-17(16)20-19(21)27-10-12-3-7-14(8-4-12)22(24)25/h2-4,7-8,11,13H,1,5-6,9-10H2