2-azanyl-6-ethyl-5-(4-nitrophenyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-azanyl-6-ethyl-5-(4-nitrophenyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-6-ethyl-5-(4-nitrophenyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-amino-6-ethyl-5-[(4-nitrophenyl)thio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-amino-6-ethyl-5-(4-nitrophenyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-6-ethyl-5-[(4-nitrophenyl)thio]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C14H12N4O3S2 MolecularWeight: 348.40008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(NC2=O)N)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(NC2=O)N)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O3S2/c1-2-9-11(10-12(19)16-14(15)17-13(10)23-9)22-8-5-3-7(4-6-8)18(20)21/h3-6H,2H2,1H3,(H3,15,16,17,19)