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

Systemtic Name: 3-(2-methoxyethyl)-5-methyl-6-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(2-methoxyethyl)-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(2-methoxyethyl)-5-methyl-6-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(2-methoxyethyl)-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-methoxyethyl)-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one Formula: C21H23N5O5S MolecularWeight: 457.50282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCOC)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCOC)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5S/c1-14-17-19(22-13-25(20(17)27)11-12-31-2)32-18(14)21(28)24-9-7-23(8-10-24)15-3-5-16(6-4-15)26(29)30/h3-6,13H,7-12H2,1-2H3