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

Systemtic Name: ethyl 4-[[2,4-bis(azanyl)-5-chloranyl-quinazolin-6-yl]methylamino]benzoate Openeye Name: ethyl 4-[(2,4-diamino-5-chloro-quinazolin-6-yl)methylamino]benzoate CAS Name: 4-[(2,4-diamino-5-chloro-6-quinazolinyl)methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,4-diamino-5-chloroquinazolin-6-yl)methylamino]benzoate Traditional Name: 4-[(2,4-diamino-5-chloro-quinazolin-6-yl)methylamino]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)NCC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl

InChI

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