2-[[4-[(2-azanyl-4-oxidanylidene-4a,8a-dihydro-3H-quinazolin-6-yl)methyl-prop-2-enyl-amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-4a,8a-dihydro-3H-quinazolin-6-yl)methyl-prop-2-enyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[allyl-[(2-amino-4-oxo-4a,8a-dihydro-3H-quinazolin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-4a,8a-dihydro-3H-quinazolin-6-yl)methyl-prop-2-enylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-4a,8a-dihydro-3H-quinazolin-6-yl)methyl-prop-2-enylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[allyl-[(2-amino-4-keto-4a,8a-dihydro-3H-quinazolin-6-yl)methyl]amino]benzoyl]amino]glutaric acid Formula: C24H27N5O6 MolecularWeight: 481.50108

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC2C(C=C1)N=C(NC2=O)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C=CCN(CC1=CC2C(C=C1)N=C(NC2=O)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C24H27N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h2-8,12,17-19H,1,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)