methyl 2-[5,6-dimethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]ethanoate

Systemtic Name: methyl 2-[5,6-dimethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]ethanoate Openeye Name: methyl 2-[5,6-dimethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]acetate CAS Name: 2-[5,6-dimethyl-4-[4-(4-nitrophenyl)-1-piperazinyl]-2-thieno[2,3-d]pyrimidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[5,6-dimethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]acetate Traditional Name: 2-[5,6-dimethyl-4-[4-(4-nitrophenyl)piperazino]thieno[2,3-d]pyrimidin-2-yl]acetic acid methyl ester Formula: C21H23N5O4S MolecularWeight: 441.50342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4S/c1-13-14(2)31-21-19(13)20(22-17(23-21)12-18(27)30-3)25-10-8-24(9-11-25)15-4-6-16(7-5-15)26(28)29/h4-7H,8-12H2,1-3H3