N-[2-(6-aminopurin-9-yl)ethyl]-3-[carbamimidoyl-[3-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]propyl]amino]propanamide

Systemtic Name: N-[2-(6-aminopurin-9-yl)ethyl]-3-[carbamimidoyl-[3-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]propyl]amino]propanamide Openeye Name: N-[2-(6-aminopurin-9-yl)ethyl]-3-[carbamimidoyl-[3-[(6-chloro-2-methoxy-acridin-9-yl)amino]propyl]amino]propanamide CAS Name: N-[2-(6-aminopurin-9-yl)ethyl]-3-[carbamimidoyl-[3-[(6-chloro-2-methoxy-9-acridinyl)amino]propyl]amino]propanamide IUPAC Name: N-[2-(6-aminopurin-9-yl)ethyl]-3-[carbamimidoyl-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]amino]propanamide Traditional Name: N-(2-adenin-9-ylethyl)-3-[amidino-[3-[(6-chloro-2-methoxy-acridin-9-yl)amino]propyl]amino]propionamide Formula: C28H32ClN11O2 MolecularWeight: 590.07918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN(CCC(=O)NCCN4C=NC5=C4N=CN=C5N)C(=N)N

Isomeric SMILES

COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN(CCC(=O)NCCN4C=NC5=C4N=CN=C5N)C(=N)N

InChI

InChI=1S/C28H32ClN11O2/c1-42-18-4-6-21-20(14-18)24(19-5-3-17(29)13-22(19)38-21)34-8-2-10-39(28(31)32)11-7-23(41)33-9-12-40-16-37-25-26(30)35-15-36-27(25)40/h3-6,13-16H,2,7-12H2,1H3,(H3,31,32)(H,33,41)(H,34,38)(H2,30,35,36)