methyl 2-[2-azanyl-7-(4-azanyl-3-morpholin-2-yl-4-oxidanylidene-butoxy)-4H-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-azanyl-7-(4-azanyl-3-morpholin-2-yl-4-oxidanylidene-butoxy)-4H-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-amino-7-(4-amino-3-morpholin-2-yl-4-oxo-butoxy)-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-7-[4-amino-3-(2-morpholinyl)-4-oxobutoxy]-4H-quinazolin-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-amino-7-(4-amino-3-morpholin-2-yl-4-oxobutoxy)-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-7-(4-amino-4-keto-3-morpholin-2-yl-butoxy)-4H-quinazolin-3-yl]acetic acid methyl ester Formula: C19H27N5O5 MolecularWeight: 405.44818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CC2=C(C=C(C=C2)OCCC(C3CNCCO3)C(=O)N)N=C1N

Isomeric SMILES

COC(=O)CN1CC2=C(C=C(C=C2)OCCC(C3CNCCO3)C(=O)N)N=C1N

InChI

InChI=1S/C19H27N5O5/c1-27-17(25)11-24-10-12-2-3-13(8-15(12)23-19(24)21)28-6-4-14(18(20)26)16-9-22-5-7-29-16/h2-3,8,14,16,22H,4-7,9-11H2,1H3,(H2,20,26)(H2,21,23)