3-(2-chloranyl-4-nitro-phenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-6-nitro-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(2-chloranyl-4-nitro-phenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-6-nitro-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(2-chloro-4-nitro-phenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-6-nitro-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(2-chloro-4-nitrophenyl)-2-[(4-ethyl-1-piperazinyl)methyl]-6-nitro-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(2-chloro-4-nitrophenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-6-nitrothieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-chloro-4-nitro-phenyl)-2-[(4-ethylpiperazino)methyl]-6-nitro-thieno[2,3-d]pyrimidin-4-one Formula: C19H19ClN6O5S MolecularWeight: 478.90936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=NC3=C(C=C(S3)[N+](=O)[O-])C(=O)N2C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCN1CCN(CC1)CC2=NC3=C(C=C(S3)[N+](=O)[O-])C(=O)N2C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19ClN6O5S/c1-2-22-5-7-23(8-6-22)11-16-21-18-13(10-17(32-18)26(30)31)19(27)24(16)15-4-3-12(25(28)29)9-14(15)20/h3-4,9-10H,2,5-8,11H2,1H3