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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-3-propyl-1H-pyrimidin-5-yl]-1-(phenylmethyl)pyrazol-1-ium-1-carboxamide Openeye Name: N-(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)-1-benzyl-pyrazol-1-ium-1-carboxamide CAS Name: N-(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)-1-(phenylmethyl)-1-pyrazol-1-iumcarboxamide IUPAC Name: N-(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)-1-benzylpyrazol-1-ium-1-carboxamide Traditional Name: N-(6-amino-2,4-diketo-3-propyl-1H-pyrimidin-5-yl)-1-benzyl-pyrazol-1-ium-1-carboxamide Formula: C18H21N6O3+ MolecularWeight: 369.39774

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=C(NC1=O)N)NC(=O)[N+]2(C=CC=N2)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)C(=C(NC1=O)N)NC(=O)[N+]2(C=CC=N2)CC3=CC=CC=C3

InChI

InChI=1S/C18H20N6O3/c1-2-10-23-16(25)14(15(19)22-17(23)26)21-18(27)24(11-6-9-20-24)12-13-7-4-3-5-8-13/h3-9,11H,2,10,12H2,1H3,(H3-,19,21,22,25,26,27)/p+1