diethyl 2-[[4-[2,4-bis(azanyl)quinazolin-6-yl]sulfanylphenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[4-[2,4-bis(azanyl)quinazolin-6-yl]sulfanylphenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-(2,4-diaminoquinazolin-6-yl)sulfanylbenzoyl]amino]pentanedioate CAS Name: 2-[[[4-[(2,4-diamino-6-quinazolinyl)thio]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-(2,4-diaminoquinazolin-6-yl)sulfanylbenzoyl]amino]pentanedioate Traditional Name: 2-[[4-[(2,4-diaminoquinazolin-6-yl)thio]benzoyl]amino]glutaric acid diethyl ester Formula: C24H27N5O5S MolecularWeight: 497.56668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)SC2=CC3=C(C=C2)N=C(N=C3N)N

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)SC2=CC3=C(C=C2)N=C(N=C3N)N

InChI

InChI=1S/C24H27N5O5S/c1-3-33-20(30)12-11-19(23(32)34-4-2)27-22(31)14-5-7-15(8-6-14)35-16-9-10-18-17(13-16)21(25)29-24(26)28-18/h5-10,13,19H,3-4,11-12H2,1-2H3,(H,27,31)(H4,25,26,28,29)