2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-8-methyl-9-propyl-3H-purin-6-one

Systemtic Name: 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-8-methyl-9-propyl-3H-purin-6-one Openeye Name: 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridyl]-8-methyl-9-propyl-3H-purin-6-one CAS Name: 2-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]-3-pyridinyl]-8-methyl-9-propyl-3H-purin-6-one IUPAC Name: 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-3-yl]-8-methyl-9-propyl-3H-purin-6-one Traditional Name: 2-[2-ethoxy-5-(4-ethylpiperazino)sulfonyl-3-pyridyl]-8-methyl-9-propyl-3H-purin-6-one Formula: C22H31N7O4S MolecularWeight: 489.59104

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1NC(=NC2=O)C3=CC(=CN=C3OCC)S(=O)(=O)N4CCN(CC4)CC)C

Isomeric SMILES

CCCN1C(=NC2=C1NC(=NC2=O)C3=CC(=CN=C3OCC)S(=O)(=O)N4CCN(CC4)CC)C

InChI

InChI=1S/C22H31N7O4S/c1-5-8-29-15(4)24-18-20(29)25-19(26-21(18)30)17-13-16(14-23-22(17)33-7-3)34(31,32)28-11-9-27(6-2)10-12-28/h13-14H,5-12H2,1-4H3,(H,25,26,30)