3-[1-(3-oxidanylpropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-pyrimidin-2-yl-pyrrole-2,5-dione

Systemtic Name: 3-[1-(3-oxidanylpropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-pyrimidin-2-yl-pyrrole-2,5-dione Openeye Name: 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-pyrimidin-2-yl-pyrrole-2,5-dione CAS Name: 3-[1-(3-hydroxypropyl)-3-pyrrolo[2,3-b]pyridinyl]-4-(2-pyrimidinyl)pyrrole-2,5-dione IUPAC Name: 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-pyrimidin-2-ylpyrrole-2,5-dione Traditional Name: 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(2-pyrimidyl)-3-pyrroline-2,5-quinone Formula: C18H15N5O3 MolecularWeight: 349.3434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(N=C1)N(C=C2C3=C(C(=O)NC3=O)C4=NC=CC=N4)CCCO

Isomeric SMILES

C1=CC2=C(N=C1)N(C=C2C3=C(C(=O)NC3=O)C4=NC=CC=N4)CCCO

InChI

InChI=1S/C18H15N5O3/c24-9-3-8-23-10-12(11-4-1-5-21-16(11)23)13-14(18(26)22-17(13)25)15-19-6-2-7-20-15/h1-2,4-7,10,24H,3,8-9H2,(H,22,25,26)