2-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-3-methyl-6-nitro-quinazolin-4-one

Systemtic Name: 2-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-3-methyl-6-nitro-quinazolin-4-one Openeye Name: 2-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-3-methyl-6-nitro-quinazolin-4-one CAS Name: 2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-methyl-6-nitro-4-quinazolinone IUPAC Name: 2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-methyl-6-nitroquinazolin-4-one Traditional Name: 2-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-3-methyl-6-nitro-quinazolin-4-one Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C)O

InChI

InChI=1S/C22H26N4O5/c1-22(2,3)23-12-16(27)13-31-17-8-5-14(6-9-17)20-24-19-10-7-15(26(29)30)11-18(19)21(28)25(20)4/h5-11,16,23,27H,12-13H2,1-4H3