2-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-phenyl]-5-methyl-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-phenyl]-5-methyl-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-phenyl]-5-methyl-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-[2-ethoxy-5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]phenyl]-5-methyl-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazino]sulfonyl-phenyl]-5-methyl-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-4-one Formula: C24H33N5O5S MolecularWeight: 503.61432

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCC)C

Isomeric SMILES

CCCN1C=C(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCC)C

InChI

InChI=1S/C24H33N5O5S/c1-4-8-28-16-17(3)21-23(28)25-22(26-24(21)31)19-15-18(6-7-20(19)34-5-2)35(32,33)29-11-9-27(10-12-29)13-14-30/h6-7,15-16,30H,4-5,8-14H2,1-3H3,(H,25,26,31)