4-[[6-azanyl-3-butyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]carbamoyl]benzenesulfonic acid

Systemtic Name: 4-[[6-azanyl-3-butyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]carbamoyl]benzenesulfonic acid Openeye Name: 4-[(6-amino-3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)carbamoyl]benzenesulfonic acid CAS Name: 4-[[(6-amino-3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 4-[(6-amino-3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)carbamoyl]benzenesulfonic acid Traditional Name: 4-[(6-amino-3-butyl-2,4-diketo-1H-pyrimidin-5-yl)carbamoyl]besylic acid Formula: C15H18N4O6S MolecularWeight: 382.39162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C(NC1=O)N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCCN1C(=O)C(=C(NC1=O)N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C15H18N4O6S/c1-2-3-8-19-14(21)11(12(16)18-15(19)22)17-13(20)9-4-6-10(7-5-9)26(23,24)25/h4-7H,2-3,8,16H2,1H3,(H,17,20)(H,18,22)(H,23,24,25)