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

Systemtic Name: N-[6-azanyl-3-(cyclopropylmethyl)-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-1-(phenylmethyl)pyrazol-1-ium-1-carboxamide Openeye Name: N-[6-amino-3-(cyclopropylmethyl)-2,4-dioxo-1H-pyrimidin-5-yl]-1-benzyl-pyrazol-1-ium-1-carboxamide CAS Name: N-[6-amino-3-(cyclopropylmethyl)-2,4-dioxo-1H-pyrimidin-5-yl]-1-(phenylmethyl)-1-pyrazol-1-iumcarboxamide IUPAC Name: N-[6-amino-3-(cyclopropylmethyl)-2,4-dioxo-1H-pyrimidin-5-yl]-1-benzylpyrazol-1-ium-1-carboxamide Traditional Name: N-[6-amino-3-(cyclopropylmethyl)-2,4-diketo-1H-pyrimidin-5-yl]-1-benzyl-pyrazol-1-ium-1-carboxamide Formula: C19H21N6O3+ MolecularWeight: 381.40844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C(=O)C(=C(NC2=O)N)NC(=O)[N+]3(C=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CC1CN2C(=O)C(=C(NC2=O)N)NC(=O)[N+]3(C=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C19H20N6O3/c20-16-15(17(26)24(18(27)23-16)11-13-7-8-13)22-19(28)25(10-4-9-21-25)12-14-5-2-1-3-6-14/h1-6,9-10,13H,7-8,11-12H2,(H3-,20,22,23,26,27,28)/p+1