3-(2-ethoxyethyl)-5-methyl-6-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(2-ethoxyethyl)-5-methyl-6-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(2-ethoxyethyl)-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(2-ethoxyethyl)-5-methyl-6-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(2-ethoxyethyl)-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-ethoxyethyl)-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H25N5O5S/c1-3-32-13-12-26-14-23-20-18(21(26)28)15(2)19(33-20)22(29)25-10-8-24(9-11-25)16-4-6-17(7-5-16)27(30)31/h4-7,14H,3,8-13H2,1-2H3