N-(3-azanylpropyl)-4-chloranyl-N-[1-[3-methyl-4-oxidanylidene-5-(phenylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propyl]benzenesulfonamide

Systemtic Name: N-(3-azanylpropyl)-4-chloranyl-N-[1-[3-methyl-4-oxidanylidene-5-(phenylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propyl]benzenesulfonamide Openeye Name: N-(3-aminopropyl)-N-[1-(5-benzyl-3-methyl-4-oxo-isoxazolo[5,4-d]pyrimidin-6-yl)propyl]-4-chloro-benzenesulfonamide CAS Name: N-(3-aminopropyl)-4-chloro-N-[1-[3-methyl-4-oxo-5-(phenylmethyl)-6-isoxazolo[5,4-d]pyrimidinyl]propyl]benzenesulfonamide IUPAC Name: N-(3-aminopropyl)-N-[1-(5-benzyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propyl]-4-chlorobenzenesulfonamide Traditional Name: N-(3-aminopropyl)-N-[1-(5-benzyl-4-keto-3-methyl-isoxazolo[5,4-d]pyrimidin-6-yl)propyl]-4-chloro-benzenesulfonamide Formula: C25H28ClN5O4S MolecularWeight: 530.03892

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(C(=NO2)C)C(=O)N1CC3=CC=CC=C3)N(CCCN)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC(C1=NC2=C(C(=NO2)C)C(=O)N1CC3=CC=CC=C3)N(CCCN)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H28ClN5O4S/c1-3-21(31(15-7-14-27)36(33,34)20-12-10-19(26)11-13-20)23-28-24-22(17(2)29-35-24)25(32)30(23)16-18-8-5-4-6-9-18/h4-6,8-13,21H,3,7,14-16,27H2,1-2H3