ethyl 4-[[[2,4-bis(azanyl)-5-chloranyl-quinazolin-6-yl]amino]methyl]benzoate

Systemtic Name: ethyl 4-[[[2,4-bis(azanyl)-5-chloranyl-quinazolin-6-yl]amino]methyl]benzoate Openeye Name: ethyl 4-[[(2,4-diamino-5-chloro-quinazolin-6-yl)amino]methyl]benzoate CAS Name: 4-[[(2,4-diamino-5-chloro-6-quinazolinyl)amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2,4-diamino-5-chloroquinazolin-6-yl)amino]methyl]benzoate Traditional Name: 4-[[(2,4-diamino-5-chloro-quinazolin-6-yl)amino]methyl]benzoic acid ethyl ester Formula: C18H18ClN5O2 MolecularWeight: 371.82082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CNC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CNC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl

InChI

InChI=1S/C18H18ClN5O2/c1-2-26-17(25)11-5-3-10(4-6-11)9-22-13-8-7-12-14(15(13)19)16(20)24-18(21)23-12/h3-8,22H,2,9H2,1H3,(H4,20,21,23,24)