ethyl 4-[5-[[2,4-bis(azanyl)quinazolin-6-yl]methylamino]-2-methoxy-phenoxy]butanoate

Systemtic Name: ethyl 4-[5-[[2,4-bis(azanyl)quinazolin-6-yl]methylamino]-2-methoxy-phenoxy]butanoate Openeye Name: ethyl 4-[5-[(2,4-diaminoquinazolin-6-yl)methylamino]-2-methoxy-phenoxy]butanoate CAS Name: 4-[5-[(2,4-diamino-6-quinazolinyl)methylamino]-2-methoxyphenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(2,4-diaminoquinazolin-6-yl)methylamino]-2-methoxyphenoxy]butanoate Traditional Name: 4-[5-[(2,4-diaminoquinazolin-6-yl)methylamino]-2-methoxy-phenoxy]butyric acid ethyl ester Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=C(C=CC(=C1)NCC2=CC3=C(C=C2)N=C(N=C3N)N)OC

Isomeric SMILES

CCOC(=O)CCCOC1=C(C=CC(=C1)NCC2=CC3=C(C=C2)N=C(N=C3N)N)OC

InChI

InChI=1S/C22H27N5O4/c1-3-30-20(28)5-4-10-31-19-12-15(7-9-18(19)29-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27)