10-(2,3-dimethylpentanoylamino)-4-oxidanylidene-pyrimido[1,2-c]quinazoline-3-carboxylate; tris(hydroxymethyl)-methyl-azanium

Systemtic Name: 10-(2,3-dimethylpentanoylamino)-4-oxidanylidene-pyrimido[1,2-c]quinazoline-3-carboxylate; tris(hydroxymethyl)-methyl-azanium Openeye Name: 10-(2,3-dimethylpentanoylamino)-4-oxo-pyrimido[1,2-c]quinazoline-3-carboxylate; tris(hydroxymethyl)-methyl-ammonium CAS Name: 10-[(2,3-dimethyl-1-oxopentyl)amino]-4-oxo-3-pyrimido[1,2-c]quinazolinecarboxylate; tris(hydroxymethyl)-methylammonium IUPAC Name: 10-(2,3-dimethylpentanoylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate; tris(hydroxymethyl)-methylazanium Traditional Name: 10-(2,3-dimethylpentanoylamino)-4-keto-pyrimido[1,2-c]quinazoline-3-carboxylate; methyl(trimethylol)ammonium Formula: C23H31N5O7 MolecularWeight: 489.52154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)C(=O)NC1=CC2=C(C=C1)N=CN3C2=NC=C(C3=O)C(=O)[O-].C[N+](CO)(CO)CO

Isomeric SMILES

CCC(C)C(C)C(=O)NC1=CC2=C(C=C1)N=CN3C2=NC=C(C3=O)C(=O)[O-].C[N+](CO)(CO)CO

InChI

InChI=1S/C19H20N4O4.C4H12NO3/c1-4-10(2)11(3)17(24)22-12-5-6-15-13(7-12)16-20-8-14(19(26)27)18(25)23(16)9-21-15;1-5(2-6,3-7)4-8/h5-11H,4H2,1-3H3,(H,22,24)(H,26,27);6-8H,2-4H2,1H3/q;+1/p-1