[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[(1R)-1-(4-tert-butylphenyl)-2-methyl-propyl]azanium

Systemtic Name: [3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[(1R)-1-(4-tert-butylphenyl)-2-methyl-propyl]azanium Openeye Name: [3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]methyl-[(1R)-1-(4-tert-butylphenyl)-2-methyl-propyl]ammonium CAS Name: [3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]methyl-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]ammonium IUPAC Name: [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium Traditional Name: [3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]methyl-[(1R)-1-(4-tert-butylphenyl)-2-methyl-propyl]ammonium Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)C(C)(C)C)[NH2+]CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

Isomeric SMILES

CC(C)[C@H](C1=CC=C(C=C1)C(C)(C)C)[NH2+]CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

InChI

InChI=1S/C25H32N4O2/c1-16(2)23(17-10-12-18(13-11-17)25(3,4)5)27-14-22-28-20-9-7-6-8-19(20)24(31)29(22)15-21(26)30/h6-13,16,23,27H,14-15H2,1-5H3,(H2,26,30)/p+1/t23-/m1/s1