N3-[9-[(4-aminophenyl)methyl]purin-6-yl]benzene-1,3-diamine

Systemtic Name: N3-[9-[(4-aminophenyl)methyl]purin-6-yl]benzene-1,3-diamine Openeye Name: N3-[9-[(4-aminophenyl)methyl]purin-6-yl]benzene-1,3-diamine CAS Name: N3-[9-[(4-aminophenyl)methyl]-6-purinyl]benzene-1,3-diamine IUPAC Name: 3-N-[9-[(4-aminophenyl)methyl]purin-6-yl]benzene-1,3-diamine Traditional Name: [9-(4-aminobenzyl)purin-6-yl]-(3-aminophenyl)amine Formula: C18H17N7 MolecularWeight: 331.37448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=NC3=C2N=CN3CC4=CC=C(C=C4)N)N

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=NC3=C2N=CN3CC4=CC=C(C=C4)N)N

InChI

InChI=1S/C18H17N7/c19-13-6-4-12(5-7-13)9-25-11-23-16-17(21-10-22-18(16)25)24-15-3-1-2-14(20)8-15/h1-8,10-11H,9,19-20H2,(H,21,22,24)