N-[[2-[[2,4-bis(azanyl)quinazolin-6-yl]amino]-2-oxidanylidene-ethyl]amino]-N-carboxy-1-phenyl-propan-2-amine oxide

Systemtic Name: N-[[2-[[2,4-bis(azanyl)quinazolin-6-yl]amino]-2-oxidanylidene-ethyl]amino]-N-carboxy-1-phenyl-propan-2-amine oxide Openeye Name: N-carboxy-N-[[2-[(2,4-diaminoquinazolin-6-yl)amino]-2-oxo-ethyl]amino]-1-phenyl-propan-2-amine oxide CAS Name: N-carboxy-N-[[2-[(2,4-diamino-6-quinazolinyl)amino]-2-oxoethyl]amino]-1-phenyl-2-propanamine oxide IUPAC Name: N-carboxy-N-[[2-[(2,4-diaminoquinazolin-6-yl)amino]-2-oxoethyl]amino]-1-phenylpropan-2-amine oxide Traditional Name: N-carboxy-N-[[2-[(2,4-diaminoquinazolin-6-yl)amino]-2-keto-ethyl]amino]-1-phenyl-propan-2-amine oxide Formula: C20H23N7O4 MolecularWeight: 425.44112

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)[N+](C(=O)O)(NCC(=O)NC2=CC3=C(C=C2)N=C(N=C3N)N)[O-]

Isomeric SMILES

CC(CC1=CC=CC=C1)[N+](C(=O)O)(NCC(=O)NC2=CC3=C(C=C2)N=C(N=C3N)N)[O-]

InChI

InChI=1S/C20H23N7O4/c1-12(9-13-5-3-2-4-6-13)27(31,20(29)30)23-11-17(28)24-14-7-8-16-15(10-14)18(21)26-19(22)25-16/h2-8,10,12,23H,9,11H2,1H3,(H,24,28)(H,29,30)(H4,21,22,25,26)