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

Systemtic Name: diethyl 2-[[4-[2-[2,4-bis(azanyl)quinazolin-6-yl]ethyl]phenyl]carbonylamino]-4-methylidene-pentanedioate Openeye Name: diethyl 2-[[4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoyl]amino]-4-methylene-pentanedioate CAS Name: 2-[[[4-[2-(2,4-diamino-6-quinazolinyl)ethyl]phenyl]-oxomethyl]amino]-4-methylenepentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioate Traditional Name: 2-[[4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoyl]amino]-4-methylene-glutaric acid diethyl ester Formula: C27H31N5O5 MolecularWeight: 505.56554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=C)C(=O)OCC)NC(=O)C1=CC=C(C=C1)CCC2=CC3=C(C=C2)N=C(N=C3N)N

Isomeric SMILES

CCOC(=O)C(CC(=C)C(=O)OCC)NC(=O)C1=CC=C(C=C1)CCC2=CC3=C(C=C2)N=C(N=C3N)N

InChI

InChI=1S/C27H31N5O5/c1-4-36-25(34)16(3)14-22(26(35)37-5-2)30-24(33)19-11-8-17(9-12-19)6-7-18-10-13-21-20(15-18)23(28)32-27(29)31-21/h8-13,15,22H,3-7,14H2,1-2H3,(H,30,33)(H4,28,29,31,32)