(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl]azanium

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl]azanium Openeye Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl]ammonium CAS Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]ammonium IUPAC Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]azanium Traditional Name: ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]-[2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl]ammonium Formula: C20H31N4O4+ MolecularWeight: 391.48454

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C[NH+](CC)CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC

Isomeric SMILES

CCC[C@H](C)NC(=O)C[NH+](CC)CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC

InChI

InChI=1S/C20H30N4O4/c1-6-8-13(3)21-19(25)12-24(7-2)11-18-22-15-10-17(28-5)16(27-4)9-14(15)20(26)23-18/h9-10,13H,6-8,11-12H2,1-5H3,(H,21,25)(H,22,23,26)/p+1/t13-/m0/s1