2-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(2-chloro-5-nitro-benzyl)-methyl-amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H17ClN4O3S MolecularWeight: 440.90268

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C21H17ClN4O3S/c1-25(10-14-9-15(26(28)29)7-8-17(14)22)11-18-23-20(27)19-16(12-30-21(19)24-18)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,23,24,27)