7-(4-aminophenyl)-2-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3H-purin-6-one

Systemtic Name: 7-(4-aminophenyl)-2-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3H-purin-6-one Openeye Name: 7-(4-aminophenyl)-2-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3H-purin-6-one CAS Name: 7-(4-aminophenyl)-2-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-3H-purin-6-one IUPAC Name: 7-(4-aminophenyl)-2-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3H-purin-6-one Traditional Name: 7-(4-aminophenyl)-2-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-phenyl]-3H-purin-6-one Formula: C26H31N7O4S MolecularWeight: 537.63384

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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=CN4C5=CC=C(C=C5)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C3=NC(=O)C4=C(N3)N=CN4C5=CC=C(C=C5)N

InChI

InChI=1S/C26H31N7O4S/c1-3-15-37-22-10-9-20(38(35,36)32-13-11-31(4-2)12-14-32)16-21(22)24-29-25-23(26(34)30-24)33(17-28-25)19-7-5-18(27)6-8-19/h5-10,16-17H,3-4,11-15,27H2,1-2H3,(H,29,30,34)