2-[4-[[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[[3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]methyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[[3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C20H27N6O3+ MolecularWeight: 399.46678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

InChI

InChI=1S/C20H26N6O3/c21-17(27)11-26-18(23-16-4-2-1-3-15(16)20(26)29)12-24-7-9-25(10-8-24)13-19(28)22-14-5-6-14/h1-4,14H,5-13H2,(H2,21,27)(H,22,28)/p+1