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

Systemtic Name: ethyl 4-[[[2,4-bis(azanyl)quinazolin-6-yl]amino]methyl]benzoate Openeye Name: ethyl 4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]benzoate CAS Name: 4-[[(2,4-diamino-6-quinazolinyl)amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]benzoate Traditional Name: 4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]benzoic acid ethyl ester Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CNC2=CC3=C(C=C2)N=C(N=C3N)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CNC2=CC3=C(C=C2)N=C(N=C3N)N

InChI

InChI=1S/C18H19N5O2/c1-2-25-17(24)12-5-3-11(4-6-12)10-21-13-7-8-15-14(9-13)16(19)23-18(20)22-15/h3-9,21H,2,10H2,1H3,(H4,19,20,22,23)