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

Systemtic Name: 4-[5-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]pent-1-en-2-yl]benzoic acid Openeye Name: 4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-1-methylene-butyl]benzoic acid CAS Name: 4-[5-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pent-1-en-2-yl]benzoic acid IUPAC Name: 4-[5-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pent-1-en-2-yl]benzoic acid Traditional Name: 4-[1-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)propyl]vinyl]benzoic acid Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CCCC1=C(NC(=NC1=O)N)N)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C=C(CCCC1=C(NC(=NC1=O)N)N)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H18N4O3/c1-9(10-5-7-11(8-6-10)15(22)23)3-2-4-12-13(17)19-16(18)20-14(12)21/h5-8H,1-4H2,(H,22,23)(H5,17,18,19,20,21)