2-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3,7-dihydropurin-6-one

Systemtic Name: 2-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3,7-dihydropurin-6-one Openeye Name: 2-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3,7-dihydropurin-6-one CAS Name: 2-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-3,7-dihydropurin-6-one IUPAC Name: 2-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3,7-dihydropurin-6-one Traditional Name: 2-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-phenyl]-3,7-dihydropurin-6-one Formula: C20H26N6O4S MolecularWeight: 446.52324

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C3=NC(=O)C4=C(N3)N=CN4

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C3=NC(=O)C4=C(N3)N=CN4

InChI

InChI=1S/C20H26N6O4S/c1-3-11-30-16-6-5-14(31(28,29)26-9-7-25(4-2)8-10-26)12-15(16)18-23-19-17(20(27)24-18)21-13-22-19/h5-6,12-13H,3-4,7-11H2,1-2H3,(H2,21,22,23,24,27)