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

Systemtic Name: butyl 4-[[2,4-bis(azanyl)-5-chloranyl-quinazolin-6-yl]methylamino]benzoate Openeye Name: butyl 4-[(2,4-diamino-5-chloro-quinazolin-6-yl)methylamino]benzoate CAS Name: 4-[(2,4-diamino-5-chloro-6-quinazolinyl)methylamino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2,4-diamino-5-chloroquinazolin-6-yl)methylamino]benzoate Traditional Name: 4-[(2,4-diamino-5-chloro-quinazolin-6-yl)methylamino]benzoic acid butyl ester Formula: C20H22ClN5O2 MolecularWeight: 399.87398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN5O2/c1-2-3-10-28-19(27)12-4-7-14(8-5-12)24-11-13-6-9-15-16(17(13)21)18(22)26-20(23)25-15/h4-9,24H,2-3,10-11H2,1H3,(H4,22,23,25,26)