2-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(2-chloro-5-nitro-benzyl)-methyl-amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C15H13ClN4O3S MolecularWeight: 364.80672

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C15H13ClN4O3S/c1-19(7-9-6-10(20(22)23)2-3-11(9)16)8-13-17-12-4-5-24-14(12)15(21)18-13/h2-6H,7-8H2,1H3,(H,17,18,21)