N1'-(9-cyclopentylpurin-2-yl)-N1-phenyl-ethane-1,1-diamine

Systemtic Name: N1'-(9-cyclopentylpurin-2-yl)-N1-phenyl-ethane-1,1-diamine Openeye Name: N1'-(9-cyclopentylpurin-2-yl)-N1-phenyl-ethane-1,1-diamine CAS Name: N1'-(9-cyclopentyl-2-purinyl)-N1-phenylethane-1,1-diamine IUPAC Name: 1-N'-(9-cyclopentylpurin-2-yl)-1-N-phenylethane-1,1-diamine Traditional Name: 1-anilinoethyl-(9-cyclopentylpurin-2-yl)amine Formula: C18H22N6 MolecularWeight: 322.40748

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC1=CC=CC=C1)NC2=NC=C3C(=N2)N(C=N3)C4CCCC4

Isomeric SMILES

CC(NC1=CC=CC=C1)NC2=NC=C3C(=N2)N(C=N3)C4CCCC4

InChI

InChI=1S/C18H22N6/c1-13(21-14-7-3-2-4-8-14)22-18-19-11-16-17(23-18)24(12-20-16)15-9-5-6-10-15/h2-4,7-8,11-13,15,21H,5-6,9-10H2,1H3,(H,19,22,23)