4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]pyrrolidin-1-yl]benzoic acid

Systemtic Name: 4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]pyrrolidin-1-yl]benzoic acid Openeye Name: 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pyrrolidin-1-yl]benzoic acid CAS Name: 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-1-pyrrolidinyl]benzoic acid IUPAC Name: 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pyrrolidin-1-yl]benzoic acid Traditional Name: 4-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)pyrrolidino]benzoic acid Formula: C15H17N5O3 MolecularWeight: 315.32718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C2=C(NC(=NC2=O)N)N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CC1C2=C(NC(=NC2=O)N)N)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H17N5O3/c16-12-11(13(21)19-15(17)18-12)9-5-6-20(7-9)10-3-1-8(2-4-10)14(22)23/h1-4,9H,5-7H2,(H,22,23)(H5,16,17,18,19,21)