[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(3,5-dibutyl-4-oxidanyl-phenyl)methanone

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(3,5-dibutyl-4-oxidanyl-phenyl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(3,5-dibutyl-4-hydroxy-phenyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(3,5-dibutyl-4-hydroxyphenyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3,5-dibutyl-4-hydroxyphenyl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-(3,5-dibutyl-4-hydroxy-phenyl)methanone Formula: C29H39N5O4 MolecularWeight: 521.65106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=C1O)CCCC)C(=O)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

Isomeric SMILES

CCCCC1=CC(=CC(=C1O)CCCC)C(=O)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

InChI

InChI=1S/C29H39N5O4/c1-5-7-9-19-15-21(16-20(26(19)35)10-8-6-2)28(36)33-11-13-34(14-12-33)29-31-23-18-25(38-4)24(37-3)17-22(23)27(30)32-29/h15-18,35H,5-14H2,1-4H3,(H2,30,31,32)