6-chloranyl-N,9-bis(cyclopenta-2,4-dien-1-ylmethyl)purin-2-amine; cyclopenta-1,3-diene; iron

Systemtic Name: 6-chloranyl-N,9-bis(cyclopenta-2,4-dien-1-ylmethyl)purin-2-amine; cyclopenta-1,3-diene; iron Openeye Name: 6-chloro-N,9-bis(cyclopenta-2,4-dien-1-ylmethyl)purin-2-amine; cyclopenta-1,3-diene; iron CAS Name: 6-chloro-N,9-bis(1-cyclopenta-2,4-dienylmethyl)-2-purinamine; cyclopenta-1,3-diene; iron IUPAC Name: 6-chloro-N,9-bis(cyclopenta-2,4-dien-1-ylmethyl)purin-2-amine; cyclopenta-1,3-diene; iron Traditional Name: [6-chloro-9-(cyclopenta-2,4-dien-1-ylmethyl)purin-2-yl]-(cyclopenta-2,4-dien-1-ylmethyl)amine; cyclopenta-1,3-diene; iron Formula: C27H24ClFe2N5-4 MolecularWeight: 565.65596

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=C[C-](C=C1)CNC2=NC3=C(C(=N2)Cl)N=CN3C[C-]4C=CC=C4.[Fe].[Fe]

Isomeric SMILES

[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=C[C-](C=C1)CNC2=NC3=C(C(=N2)Cl)N=CN3C[C-]4C=CC=C4.[Fe].[Fe]

InChI

InChI=1S/C17H14ClN5.2C5H5.2Fe/c18-15-14-16(23(11-20-14)10-13-7-3-4-8-13)22-17(21-15)19-9-12-5-1-2-6-12;2*1-2-4-5-3-1;;/h1-8,11H,9-10H2,(H,19,21,22);2*1-5H;;/q-2;2*-1;;