5,6-dimethyl-4-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-thieno[2,3-d]pyrimidine

Systemtic Name: 5,6-dimethyl-4-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-thieno[2,3-d]pyrimidine Openeye Name: 5,6-dimethyl-4-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-thieno[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-4-[(4-methylsulfonyl-2-nitrophenyl)thio]thieno[2,3-d]pyrimidine IUPAC Name: 5,6-dimethyl-4-(4-methylsulfonyl-2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidine Traditional Name: 4-[(4-mesyl-2-nitro-phenyl)thio]-5,6-dimethyl-thieno[2,3-d]pyrimidine Formula: C15H13N3O4S3 MolecularWeight: 395.47642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C15H13N3O4S3/c1-8-9(2)23-14-13(8)15(17-7-16-14)24-12-5-4-10(25(3,21)22)6-11(12)18(19)20/h4-7H,1-3H3