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

Systemtic Name: butyl 4-[[2,4-bis(azanyl)-5-methyl-quinazolin-6-yl]methylamino]benzoate Openeye Name: butyl 4-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoate CAS Name: 4-[(2,4-diamino-5-methyl-6-quinazolinyl)methylamino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2,4-diamino-5-methylquinazolin-6-yl)methylamino]benzoate Traditional Name: 4-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoic acid butyl ester Formula: C21H25N5O2 MolecularWeight: 379.4555

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2/c1-3-4-11-28-20(27)14-5-8-16(9-6-14)24-12-15-7-10-17-18(13(15)2)19(22)26-21(23)25-17/h5-10,24H,3-4,11-12H2,1-2H3,(H4,22,23,25,26)