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

Systemtic Name: 2-azanyl-6-methyl-5-(4-nitrophenyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-6-methyl-5-(4-nitrophenyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-amino-6-methyl-5-[(4-nitrophenyl)thio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-amino-6-methyl-5-(4-nitrophenyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-6-methyl-5-[(4-nitrophenyl)thio]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C13H10N4O3S2 MolecularWeight: 334.3735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)N)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)N)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O3S2/c1-6-10(9-11(18)15-13(14)16-12(9)21-6)22-8-4-2-7(3-5-8)17(19)20/h2-5H,1H3,(H3,14,15,16,18)