3-[7-bromanyl-3-methyl-2,4-bis(oxidanylidene)-1-propyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]-4-ethoxy-N-(2-piperidin-1-ylethyl)benzenesulfonamide

Systemtic Name: 3-[7-bromanyl-3-methyl-2,4-bis(oxidanylidene)-1-propyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]-4-ethoxy-N-(2-piperidin-1-ylethyl)benzenesulfonamide Openeye Name: 3-(7-bromo-3-methyl-2,4-dioxo-1-propyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-4-ethoxy-N-[2-(1-piperidyl)ethyl]benzenesulfonamide CAS Name: 3-(7-bromo-3-methyl-2,4-dioxo-1-propyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-4-ethoxy-N-[2-(1-piperidinyl)ethyl]benzenesulfonamide IUPAC Name: 3-(7-bromo-3-methyl-2,4-dioxo-1-propyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-4-ethoxy-N-(2-piperidin-1-ylethyl)benzenesulfonamide Traditional Name: 3-(7-bromo-2,4-diketo-3-methyl-1-propyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-4-ethoxy-N-(2-piperidinoethyl)benzenesulfonamide Formula: C25H34BrN5O5S MolecularWeight: 596.53696

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C)NC(=C2Br)C3=C(C=CC(=C3)S(=O)(=O)NCCN4CCCCC4)OCC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C)NC(=C2Br)C3=C(C=CC(=C3)S(=O)(=O)NCCN4CCCCC4)OCC

InChI

InChI=1S/C25H34BrN5O5S/c1-4-12-31-23-20(26)21(28-22(23)24(32)29(3)25(31)33)18-16-17(9-10-19(18)36-5-2)37(34,35)27-11-15-30-13-7-6-8-14-30/h9-10,16,27-28H,4-8,11-15H2,1-3H3