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

Systemtic Name: 6-ethyl-3-(3-methoxypropyl)-2-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-3-(3-methoxypropyl)-2-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-3-(3-methoxypropyl)-2-[(4-nitrophenyl)methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-3-(3-methoxypropyl)-2-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-3-(3-methoxypropyl)-2-[(4-nitrobenzyl)thio]thieno[2,3-d]pyrimidin-4-one Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S2/c1-3-15-11-16-17(28-15)20-19(21(18(16)23)9-4-10-26-2)27-12-13-5-7-14(8-6-13)22(24)25/h5-8,11H,3-4,9-10,12H2,1-2H3