2-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-9-(4-nitrophenyl)-3H-purin-6-one

Systemtic Name: 2-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-9-(4-nitrophenyl)-3H-purin-6-one Openeye Name: 2-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-9-(4-nitrophenyl)-3H-purin-6-one CAS Name: 2-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-9-(4-nitrophenyl)-3H-purin-6-one IUPAC Name: 2-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-9-(4-nitrophenyl)-3H-purin-6-one Traditional Name: 2-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-phenyl]-9-(4-nitrophenyl)-3H-purin-6-one Formula: C26H29N7O6S MolecularWeight: 567.61676

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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(C=N4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C3=NC(=O)C4=C(N3)N(C=N4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H29N7O6S/c1-3-15-39-22-10-9-20(40(37,38)31-13-11-30(4-2)12-14-31)16-21(22)24-28-25-23(26(34)29-24)27-17-32(25)18-5-7-19(8-6-18)33(35)36/h5-10,16-17H,3-4,11-15H2,1-2H3,(H,28,29,34)