8-[5-(3,5-dimethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-6-ethyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one

Systemtic Name: 8-[5-(3,5-dimethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-6-ethyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Openeye Name: 8-[5-(3,5-dimethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-6-ethyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one CAS Name: 8-[5-[(3,5-dimethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-6-ethyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one IUPAC Name: 8-[5-(3,5-dimethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-6-ethyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Traditional Name: 8-[5-(3,5-dimethylpiperazino)sulfonyl-2-propoxy-phenyl]-6-ethyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Formula: C23H30N8O4S MolecularWeight: 514.6005

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CC(NC(C2)C)C)C3=NC4=C5NN=CN5C(=O)N(C4=N3)CC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CC(NC(C2)C)C)C3=NC4=C5NN=CN5C(=O)N(C4=N3)CC

InChI

InChI=1S/C23H30N8O4S/c1-5-9-35-18-8-7-16(36(33,34)29-11-14(3)25-15(4)12-29)10-17(18)20-26-19-21(27-20)30(6-2)23(32)31-13-24-28-22(19)31/h7-8,10,13-15,25,28H,5-6,9,11-12H2,1-4H3