4-(3-morpholin-4-ium-4-ylpropylamino)quinazoline-5-carboxylate

Systemtic Name: 4-(3-morpholin-4-ium-4-ylpropylamino)quinazoline-5-carboxylate Openeye Name: 4-(3-morpholin-4-ium-4-ylpropylamino)quinazoline-5-carboxylate CAS Name: 4-[3-(4-morpholin-4-iumyl)propylamino]-5-quinazolinecarboxylate IUPAC Name: 4-(3-morpholin-4-ium-4-ylpropylamino)quinazoline-5-carboxylate Traditional Name: 4-(3-morpholin-4-ium-4-ylpropylamino)quinazoline-5-carboxylate Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=NC=NC3=CC=CC(=C32)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNC2=NC=NC3=CC=CC(=C32)C(=O)[O-]

InChI

InChI=1S/C16H20N4O3/c21-16(22)12-3-1-4-13-14(12)15(19-11-18-13)17-5-2-6-20-7-9-23-10-8-20/h1,3-4,11H,2,5-10H2,(H,21,22)(H,17,18,19)