1-[2-(acridin-9-ylamino)-6-azanyl-4-(hydroxymethyl)phenyl]pentane-1,4-dione

Systemtic Name: 1-[2-(acridin-9-ylamino)-6-azanyl-4-(hydroxymethyl)phenyl]pentane-1,4-dione Openeye Name: 1-[2-(acridin-9-ylamino)-6-amino-4-(hydroxymethyl)phenyl]pentane-1,4-dione CAS Name: 1-[2-(9-acridinylamino)-6-amino-4-(hydroxymethyl)phenyl]pentane-1,4-dione IUPAC Name: 1-[2-(acridin-9-ylamino)-6-amino-4-(hydroxymethyl)phenyl]pentane-1,4-dione Traditional Name: 1-[2-(acridin-9-ylamino)-6-amino-4-methylol-phenyl]pentane-1,4-dione Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)C1=C(C=C(C=C1NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO)N

Isomeric SMILES

CC(=O)CCC(=O)C1=C(C=C(C=C1NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO)N

InChI

InChI=1S/C25H23N3O3/c1-15(30)10-11-23(31)24-19(26)12-16(14-29)13-22(24)28-25-17-6-2-4-8-20(17)27-21-9-5-3-7-18(21)25/h2-9,12-13,29H,10-11,14,26H2,1H3,(H,27,28)