N3,N8-bis[3-(6-aminopurin-9-yl)propyl]-6-methyl-phenanthridine-3,8-diamine

Systemtic Name: N3,N8-bis[3-(6-aminopurin-9-yl)propyl]-6-methyl-phenanthridine-3,8-diamine Openeye Name: N3,N8-bis[3-(6-aminopurin-9-yl)propyl]-6-methyl-phenanthridine-3,8-diamine CAS Name: N3,N8-bis[3-(6-aminopurin-9-yl)propyl]-6-methylphenanthridine-3,8-diamine IUPAC Name: 3-N,8-N-bis[3-(6-aminopurin-9-yl)propyl]-6-methylphenanthridine-3,8-diamine Traditional Name: 3-adenin-9-ylpropyl-[3-(3-adenin-9-ylpropylamino)-6-methyl-phenanthridin-8-yl]amine Formula: C30H31N13 MolecularWeight: 573.65424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=CC2=C3C=CC(=CC3=N1)NCCCN4C=NC5=C4N=CN=C5N)NCCCN6C=NC7=C6N=CN=C7N

Isomeric SMILES

CC1=C2C=C(C=CC2=C3C=CC(=CC3=N1)NCCCN4C=NC5=C4N=CN=C5N)NCCCN6C=NC7=C6N=CN=C7N

InChI

InChI=1S/C30H31N13/c1-18-23-12-19(33-8-2-10-42-16-39-25-27(31)35-14-37-29(25)42)4-6-21(23)22-7-5-20(13-24(22)41-18)34-9-3-11-43-17-40-26-28(32)36-15-38-30(26)43/h4-7,12-17,33-34H,2-3,8-11H2,1H3,(H2,31,35,37)(H2,32,36,38)