4-[4-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)butyl]benzoic acid

Systemtic Name: 4-[4-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)butyl]benzoic acid Openeye Name: 4-[4-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)butyl]benzoic acid CAS Name: 4-[4-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)butyl]benzoic acid IUPAC Name: 4-[4-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)butyl]benzoic acid Traditional Name: 4-[4-(2-amino-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)butyl]benzoic acid Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)O

InChI

InChI=1S/C17H18N4O3/c18-17-20-14-13(15(22)21-17)12(9-19-14)4-2-1-3-10-5-7-11(8-6-10)16(23)24/h5-9H,1-4H2,(H,23,24)(H4,18,19,20,21,22)