3-[5-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]pentan-2-yl]thiophene-2-carboxylic acid

Systemtic Name: 3-[5-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]pentan-2-yl]thiophene-2-carboxylic acid Openeye Name: 3-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-1-methyl-butyl]thiophene-2-carboxylic acid CAS Name: 3-[5-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pentan-2-yl]-2-thiophenecarboxylic acid IUPAC Name: 3-[5-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pentan-2-yl]thiophene-2-carboxylic acid Traditional Name: 3-[4-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)-1-methyl-butyl]-2-thenoic acid Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O3S/c1-7(8-5-6-22-10(8)13(20)21)3-2-4-9-11(15)17-14(16)18-12(9)19/h5-7H,2-4H2,1H3,(H,20,21)(H5,15,16,17,18,19)