2-[[4-(1-ethylbenzotriazol-5-yl)carbonylpiperazin-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(1-ethylbenzotriazol-5-yl)carbonylpiperazin-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-[(1-ethyl-5-benzotriazolyl)-oxomethyl]-1-piperazinyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(1-ethylbenzotriazole-5-carbonyl)piperazino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H25N7O2S MolecularWeight: 451.5446

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=NC5=C(C(=C(S5)C)C)C(=O)N4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=NC5=C(C(=C(S5)C)C)C(=O)N4)N=N1

InChI

InChI=1S/C22H25N7O2S/c1-4-29-17-6-5-15(11-16(17)25-26-29)22(31)28-9-7-27(8-10-28)12-18-23-20(30)19-13(2)14(3)32-21(19)24-18/h5-6,11H,4,7-10,12H2,1-3H3,(H,23,24,30)