N-[6-azanyl-1-ethyl-2,4-bis(oxidanylidene)-3-propyl-pyrimidin-5-yl]-1-(1-oxidanidylpyridin-1-ium-3-yl)pyrazole-4-carboxamide

Systemtic Name: N-[6-azanyl-1-ethyl-2,4-bis(oxidanylidene)-3-propyl-pyrimidin-5-yl]-1-(1-oxidanidylpyridin-1-ium-3-yl)pyrazole-4-carboxamide Openeye Name: N-(6-amino-1-ethyl-2,4-dioxo-3-propyl-pyrimidin-5-yl)-1-(1-oxidopyridin-1-ium-3-yl)pyrazole-4-carboxamide CAS Name: N-(6-amino-1-ethyl-2,4-dioxo-3-propyl-5-pyrimidinyl)-1-(1-oxido-3-pyridin-1-iumyl)-4-pyrazolecarboxamide IUPAC Name: N-(6-amino-1-ethyl-2,4-dioxo-3-propylpyrimidin-5-yl)-1-(1-oxidopyridin-1-ium-3-yl)pyrazole-4-carboxamide Traditional Name: N-(6-amino-1-ethyl-2,4-diketo-3-propyl-pyrimidin-5-yl)-1-(1-oxidopyridin-1-ium-3-yl)pyrazole-4-carboxamide Formula: C18H21N7O4 MolecularWeight: 399.40384

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=C(N(C1=O)CC)N)NC(=O)C2=CN(N=C2)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CCCN1C(=O)C(=C(N(C1=O)CC)N)NC(=O)C2=CN(N=C2)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C18H21N7O4/c1-3-7-24-17(27)14(15(19)23(4-2)18(24)28)21-16(26)12-9-20-25(10-12)13-6-5-8-22(29)11-13/h5-6,8-11H,3-4,7,19H2,1-2H3,(H,21,26)