diethyl (2S)-2-[[4-[(2-azanyl-6-methyl-4-oxidanylidene-1H-quinazolin-5-yl)sulfanyl]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[4-[(2-azanyl-6-methyl-4-oxidanylidene-1H-quinazolin-5-yl)sulfanyl]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[4-[(2-amino-6-methyl-4-oxo-1H-quinazolin-5-yl)sulfanyl]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[(2-amino-6-methyl-4-oxo-1H-quinazolin-5-yl)thio]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[4-[(2-amino-6-methyl-4-oxo-1H-quinazolin-5-yl)sulfanyl]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-[(2-amino-4-keto-6-methyl-1H-quinazolin-5-yl)thio]benzoyl]amino]glutaric acid diethyl ester Formula: C25H28N4O6S MolecularWeight: 512.57802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)SC2=C(C=CC3=C2C(=O)N=C(N3)N)C

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)SC2=C(C=CC3=C2C(=O)N=C(N3)N)C

InChI

InChI=1S/C25H28N4O6S/c1-4-34-19(30)13-12-18(24(33)35-5-2)27-22(31)15-7-9-16(10-8-15)36-21-14(3)6-11-17-20(21)23(32)29-25(26)28-17/h6-11,18H,4-5,12-13H2,1-3H3,(H,27,31)(H3,26,28,29,32)/t18-/m0/s1