2-azanyl-5-[bis(azanyl)methylideneamino]-N-[2-(6-chloranyl-9-methyl-acridin-2-yl)oxyethyl]pentanamide

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]-N-[2-(6-chloranyl-9-methyl-acridin-2-yl)oxyethyl]pentanamide Openeye Name: 2-amino-N-[2-(6-chloro-9-methyl-acridin-2-yl)oxyethyl]-5-guanidino-pentanamide CAS Name: 2-amino-N-[2-[(6-chloro-9-methyl-2-acridinyl)oxy]ethyl]-5-(diaminomethylideneamino)pentanamide IUPAC Name: 2-amino-N-[2-(6-chloro-9-methylacridin-2-yl)oxyethyl]-5-(diaminomethylideneamino)pentanamide Traditional Name: 2-amino-N-[2-(6-chloro-9-methyl-acridin-2-yl)oxyethyl]-5-guanidino-valeramide Formula: C22H27ClN6O2 MolecularWeight: 442.94178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=CC2=NC3=C1C=C(C=C3)OCCNC(=O)C(CCCN=C(N)N)N)Cl

Isomeric SMILES

CC1=C2C=CC(=CC2=NC3=C1C=C(C=C3)OCCNC(=O)C(CCCN=C(N)N)N)Cl

InChI

InChI=1S/C22H27ClN6O2/c1-13-16-6-4-14(23)11-20(16)29-19-7-5-15(12-17(13)19)31-10-9-27-21(30)18(24)3-2-8-28-22(25)26/h4-7,11-12,18H,2-3,8-10,24H2,1H3,(H,27,30)(H4,25,26,28)