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

Systemtic Name: 4-[6-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]hex-1-en-3-yl]benzoic acid Openeye Name: 4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-1-vinyl-butyl]benzoic acid CAS Name: 4-[6-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)hex-1-en-3-yl]benzoic acid IUPAC Name: 4-[6-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)hex-1-en-3-yl]benzoic acid Traditional Name: 4-[1-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)propyl]allyl]benzoic acid Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O3/c1-2-10(11-6-8-12(9-7-11)16(23)24)4-3-5-13-14(18)20-17(19)21-15(13)22/h2,6-10H,1,3-5H2,(H,23,24)(H5,18,19,20,21,22)