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

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-N-butyl-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-isoquinolin-2-ium-2-yl-acetamide Formula: C23H30N5O3+ MolecularWeight: 424.516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H29N5O3/c1-4-5-11-27(20-21(24)28(13-16(2)3)23(31)25-22(20)30)19(29)15-26-12-10-17-8-6-7-9-18(17)14-26/h6-10,12,14,16H,4-5,11,13,15H2,1-3H3,(H2-,24,25,30,31)/p+1