5,6-dimethyl-4-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-thieno[2,3-d]pyrimidine

Systemtic Name: 5,6-dimethyl-4-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-thieno[2,3-d]pyrimidine Openeye Name: 5,6-dimethyl-4-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-thieno[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-4-[[(1R)-1-(3-nitrophenyl)ethyl]thio]thieno[2,3-d]pyrimidine IUPAC Name: 5,6-dimethyl-4-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylthieno[2,3-d]pyrimidine Traditional Name: 5,6-dimethyl-4-[[(1R)-1-(3-nitrophenyl)ethyl]thio]thieno[2,3-d]pyrimidine Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S2/c1-9-10(2)22-15-14(9)16(18-8-17-15)23-11(3)12-5-4-6-13(7-12)19(20)21/h4-8,11H,1-3H3/t11-/m1/s1