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

Systemtic Name: 6-ethyl-2-[(3-nitrophenyl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-6-ethyl-2-[(3-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-2-[(3-nitrophenyl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-2-[(3-nitrophenyl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-6-ethyl-2-[(3-nitrobenzyl)thio]thieno[2,3-d]pyrimidin-4-one Formula: C18H17N3O3S2 MolecularWeight: 387.47588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3S2/c1-3-8-20-17(22)15-10-14(4-2)26-16(15)19-18(20)25-11-12-6-5-7-13(9-12)21(23)24/h3,5-7,9-10H,1,4,8,11H2,2H3