methyl 1-[4-[6-azanyl-4-(1-phenylethylamino)quinazolin-7-yl]oxybutyl]piperidine-2-carboxylate

Systemtic Name: methyl 1-[4-[6-azanyl-4-(1-phenylethylamino)quinazolin-7-yl]oxybutyl]piperidine-2-carboxylate Openeye Name: methyl 1-[4-[6-amino-4-(1-phenylethylamino)quinazolin-7-yl]oxybutyl]piperidine-2-carboxylate CAS Name: 1-[4-[[6-amino-4-(1-phenylethylamino)-7-quinazolinyl]oxy]butyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[6-amino-4-(1-phenylethylamino)quinazolin-7-yl]oxybutyl]piperidine-2-carboxylate Traditional Name: 1-[4-[6-amino-4-(1-phenylethylamino)quinazolin-7-yl]oxybutyl]pipecolinic acid methyl ester Formula: C27H35N5O3 MolecularWeight: 477.5985

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC3=CC(=C(C=C32)N)OCCCCN4CCCCC4C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC3=CC(=C(C=C32)N)OCCCCN4CCCCC4C(=O)OC

InChI

InChI=1S/C27H35N5O3/c1-19(20-10-4-3-5-11-20)31-26-21-16-22(28)25(17-23(21)29-18-30-26)35-15-9-8-14-32-13-7-6-12-24(32)27(33)34-2/h3-5,10-11,16-19,24H,6-9,12-15,28H2,1-2H3,(H,29,30,31)