2-[2-ethoxy-5-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl-sulfinato-amino]phenyl]-5-methyl-4-oxidanylidene-7-propyl-1H-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 2-[2-ethoxy-5-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl-sulfinato-amino]phenyl]-5-methyl-4-oxidanylidene-7-propyl-1H-pyrrolo[2,3-d]pyrimidine Openeye Name: 2-[2-ethoxy-5-[3-(2-oxopyrrolidin-1-yl)propyl-sulfinato-amino]phenyl]-5-methyl-4-oxo-7-propyl-1H-pyrrolo[2,3-d]pyrimidine CAS Name: 2-[2-ethoxy-5-[3-(2-oxo-1-pyrrolidinyl)propyl-sulfinatoamino]phenyl]-5-methyl-4-oxo-7-propyl-1H-pyrrolo[2,3-d]pyrimidine IUPAC Name: 2-[2-ethoxy-5-[3-(2-oxopyrrolidin-1-yl)propyl-sulfinatoamino]phenyl]-5-methyl-4-oxo-7-propyl-1H-pyrrolo[2,3-d]pyrimidine Traditional Name: 2-[2-ethoxy-5-[3-(2-ketopyrrolidino)propyl-sulfinato-amino]phenyl]-4-keto-5-methyl-7-propyl-1H-pyrrolo[2,3-d]pyrimidine Formula: C25H32N5O5S- MolecularWeight: 514.61708

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)N(CCCN4CCCC4=O)S(=O)[O-])OCC)C

Isomeric SMILES

CCCN1C=C(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)N(CCCN4CCCC4=O)S(=O)[O-])OCC)C

InChI

InChI=1S/C25H33N5O5S/c1-4-11-29-16-17(3)22-24(29)26-23(27-25(22)32)19-15-18(9-10-20(19)35-5-2)30(36(33)34)14-7-13-28-12-6-8-21(28)31/h9-10,15-16H,4-8,11-14H2,1-3H3,(H,33,34)(H,26,27,32)/p-1