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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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