6-(2-nitrophenyl)sulfanyl-4-[4-(phenylmethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 6-(2-nitrophenyl)sulfanyl-4-[4-(phenylmethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-(2-nitrophenyl)sulfanyl-thieno[2,3-d]pyrimidine CAS Name: 6-[(2-nitrophenyl)thio]-4-[4-(phenylmethyl)-1-piperazinyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-[(2-nitrophenyl)thio]thieno[2,3-d]pyrimidine Formula: C23H21N5O2S2 MolecularWeight: 463.57514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C4C=C(SC4=NC=N3)SC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C4C=C(SC4=NC=N3)SC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O2S2/c29-28(30)19-8-4-5-9-20(19)31-21-14-18-22(24-16-25-23(18)32-21)27-12-10-26(11-13-27)15-17-6-2-1-3-7-17/h1-9,14,16H,10-13,15H2