N-[6-azanyl-3-(2-methylpropyl)-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-1-(phenylmethyl)pyrazol-1-ium-1-carboxamide

Systemtic Name: N-[6-azanyl-3-(2-methylpropyl)-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-1-(phenylmethyl)pyrazol-1-ium-1-carboxamide Openeye Name: N-(6-amino-3-isobutyl-2,4-dioxo-1H-pyrimidin-5-yl)-1-benzyl-pyrazol-1-ium-1-carboxamide CAS Name: N-[6-amino-3-(2-methylpropyl)-2,4-dioxo-1H-pyrimidin-5-yl]-1-(phenylmethyl)-1-pyrazol-1-iumcarboxamide IUPAC Name: N-[6-amino-3-(2-methylpropyl)-2,4-dioxo-1H-pyrimidin-5-yl]-1-benzylpyrazol-1-ium-1-carboxamide Traditional Name: N-(6-amino-3-isobutyl-2,4-diketo-1H-pyrimidin-5-yl)-1-benzyl-pyrazol-1-ium-1-carboxamide Formula: C19H23N6O3+ MolecularWeight: 383.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=C(NC1=O)N)NC(=O)[N+]2(C=CC=N2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C(=O)C(=C(NC1=O)N)NC(=O)[N+]2(C=CC=N2)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N6O3/c1-13(2)11-24-17(26)15(16(20)23-18(24)27)22-19(28)25(10-6-9-21-25)12-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H3-,20,22,23,26,27,28)/p+1