sodium; 2-azanyl-3-(1H-indol-3-yl)propanamide; 5-ethyl-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidin-2-olate

Systemtic Name: sodium; 2-azanyl-3-(1H-indol-3-yl)propanamide; 5-ethyl-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidin-2-olate Openeye Name: sodium; 2-amino-3-(1H-indol-3-yl)propanamide; 5-ethyl-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate CAS Name: sodium; 2-amino-3-(1H-indol-3-yl)propanamide; 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate IUPAC Name: sodium; 2-amino-3-(1H-indol-3-yl)propanamide; 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate Traditional Name: sodium; 2-amino-3-(1H-indol-3-yl)propionamide; 5-ethyl-4,6-diketo-5-(1-methylbutyl)-1H-pyrimidin-2-olate Formula: C22H30N5NaO4 MolecularWeight: 451.49447

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)N)N.[Na+]

Isomeric SMILES

CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)N)N.[Na+]

InChI

InChI=1S/C11H13N3O.C11H18N2O3.Na/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10;1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h1-4,6,9,14H,5,12H2,(H2,13,15);7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;;+1/p-1