tert-butyl 2-[2-azanyl-6-[4-[cyclohexylmethyl(1-hydroxyethyl)amino]-4-oxidanylidene-butoxy]-4H-quinazolin-3-yl]ethanoate

Systemtic Name: tert-butyl 2-[2-azanyl-6-[4-[cyclohexylmethyl(1-hydroxyethyl)amino]-4-oxidanylidene-butoxy]-4H-quinazolin-3-yl]ethanoate Openeye Name: tert-butyl 2-[2-amino-6-[4-[cyclohexylmethyl(1-hydroxyethyl)amino]-4-oxo-butoxy]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-6-[4-[cyclohexylmethyl(1-hydroxyethyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-amino-6-[4-[cyclohexylmethyl(1-hydroxyethyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-6-[4-[cyclohexylmethyl(1-hydroxyethyl)amino]-4-keto-butoxy]-4H-quinazolin-3-yl]acetic acid tert-butyl ester Formula: C27H42N4O5 MolecularWeight: 502.64618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(N(CC1CCCCC1)C(=O)CCCOC2=CC3=C(C=C2)N=C(N(C3)CC(=O)OC(C)(C)C)N)O

Isomeric SMILES

CC(N(CC1CCCCC1)C(=O)CCCOC2=CC3=C(C=C2)N=C(N(C3)CC(=O)OC(C)(C)C)N)O

InChI

InChI=1S/C27H42N4O5/c1-19(32)31(16-20-9-6-5-7-10-20)24(33)11-8-14-35-22-12-13-23-21(15-22)17-30(26(28)29-23)18-25(34)36-27(2,3)4/h12-13,15,19-20,32H,5-11,14,16-18H2,1-4H3,(H2,28,29)