N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-isoquinolin-2-ium-2-yl-N-(2-methoxyethyl)ethanamide

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-isoquinolin-2-ium-2-yl-N-(2-methoxyethyl)ethanamide Openeye Name: N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-2-isoquinolin-2-ium-2-yl-N-(2-methoxyethyl)acetamide CAS Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-(2-isoquinolin-2-iumyl)-N-(2-methoxyethyl)acetamide IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-isoquinolin-2-ium-2-yl-N-(2-methoxyethyl)acetamide Traditional Name: N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-2-isoquinolin-2-ium-2-yl-N-(2-methoxyethyl)acetamide Formula: C22H28N5O4+ MolecularWeight: 426.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C[N+]2=CC3=CC=CC=C3C=C2)N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C[N+]2=CC3=CC=CC=C3C=C2)N

InChI

InChI=1S/C22H27N5O4/c1-15(2)12-27-20(23)19(21(29)24-22(27)30)26(10-11-31-3)18(28)14-25-9-8-16-6-4-5-7-17(16)13-25/h4-9,13,15H,10-12,14H2,1-3H3,(H2-,23,24,29,30)/p+1