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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(N=C1)N(C=C2C3=C(C(=O)NC3=O)C4=CN=CN=C4)CCCO

Isomeric SMILES

C1=CC2=C(N=C1)N(C=C2C3=C(C(=O)NC3=O)C4=CN=CN=C4)CCCO

InChI

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