4-[(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrrolo[3,2-d]pyrimidin-5-yl)methyl]benzoic acid

Systemtic Name: 4-[(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrrolo[3,2-d]pyrimidin-5-yl)methyl]benzoic acid Openeye Name: 4-[(2-amino-6-methyl-4-oxo-1H-pyrrolo[3,2-d]pyrimidin-5-yl)methyl]benzoic acid CAS Name: 4-[(2-amino-6-methyl-4-oxo-1H-pyrrolo[3,2-d]pyrimidin-5-yl)methyl]benzoic acid IUPAC Name: 4-[(2-amino-6-methyl-4-oxo-1H-pyrrolo[3,2-d]pyrimidin-5-yl)methyl]benzoic acid Traditional Name: 4-[(2-amino-4-keto-6-methyl-1H-pyrrolo[3,2-d]pyrimidin-5-yl)methyl]benzoic acid Formula: C15H14N4O3 MolecularWeight: 298.29666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1CC3=CC=C(C=C3)C(=O)O)C(=O)N=C(N2)N

Isomeric SMILES

CC1=CC2=C(N1CC3=CC=C(C=C3)C(=O)O)C(=O)N=C(N2)N

InChI

InChI=1S/C15H14N4O3/c1-8-6-11-12(13(20)18-15(16)17-11)19(8)7-9-2-4-10(5-3-9)14(21)22/h2-6H,7H2,1H3,(H,21,22)(H3,16,17,18,20)