5,6-dimethyl-4-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]-2-thiophen-2-yl-thieno[2,3-d]pyrimidine

Systemtic Name: 5,6-dimethyl-4-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]-2-thiophen-2-yl-thieno[2,3-d]pyrimidine Openeye Name: 5,6-dimethyl-4-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]-2-(2-thienyl)thieno[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-4-[4-(3-methyl-5-nitro-4-imidazolyl)-1-piperazinyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidine IUPAC Name: 5,6-dimethyl-4-[4-(3-methyl-5-nitroimidazol-4-yl)piperazin-1-yl]-2-thiophen-2-ylthieno[2,3-d]pyrimidine Traditional Name: 5,6-dimethyl-4-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazino]-2-(2-thienyl)thieno[2,3-d]pyrimidine Formula: C20H21N7O2S2 MolecularWeight: 455.55644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=C(N=CN4C)[N+](=O)[O-])C5=CC=CS5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=C(N=CN4C)[N+](=O)[O-])C5=CC=CS5)C

InChI

InChI=1S/C20H21N7O2S2/c1-12-13(2)31-19-15(12)17(22-16(23-19)14-5-4-10-30-14)25-6-8-26(9-7-25)20-18(27(28)29)21-11-24(20)3/h4-5,10-11H,6-9H2,1-3H3