(2S)-2-[[4-[[2,4-bis(azanyl)-5-methyl-quinazolin-6-yl]methylamino]phenyl]carbonylamino]butanedioic acid

Systemtic Name: (2S)-2-[[4-[[2,4-bis(azanyl)-5-methyl-quinazolin-6-yl]methylamino]phenyl]carbonylamino]butanedioic acid Openeye Name: (2S)-2-[[4-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid CAS Name: (2S)-2-[[[4-[(2,4-diamino-5-methyl-6-quinazolinyl)methylamino]phenyl]-oxomethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[4-[(2,4-diamino-5-methylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[4-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoyl]amino]succinic acid Formula: C21H22N6O5 MolecularWeight: 438.43658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC=C(C=C3)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C21H22N6O5/c1-10-12(4-7-14-17(10)18(22)27-21(23)26-14)9-24-13-5-2-11(3-6-13)19(30)25-15(20(31)32)8-16(28)29/h2-7,15,24H,8-9H2,1H3,(H,25,30)(H,28,29)(H,31,32)(H4,22,23,26,27)/t15-/m0/s1