6-chloranyl-N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-2-amine; cyclopenta-1,3-diene; iron

Systemtic Name: 6-chloranyl-N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-2-amine; cyclopenta-1,3-diene; iron Openeye Name: 6-chloro-N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-2-amine; cyclopenta-1,3-diene; iron CAS Name: 6-chloro-N-(1-cyclopenta-2,4-dienylmethyl)-7H-purin-2-amine; cyclopenta-1,3-diene; iron IUPAC Name: 6-chloro-N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-2-amine; cyclopenta-1,3-diene; iron Traditional Name: (6-chloro-7H-purin-2-yl)-(cyclopenta-2,4-dien-1-ylmethyl)amine; cyclopenta-1,3-diene; iron Formula: C16H14ClFeN5-2 MolecularWeight: 367.61386

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.C1=C[C-](C=C1)CNC2=NC3=C(C(=N2)Cl)NC=N3.[Fe]

Isomeric SMILES

[CH-]1C=CC=C1.C1=C[C-](C=C1)CNC2=NC3=C(C(=N2)Cl)NC=N3.[Fe]

InChI

InChI=1S/C11H9ClN5.C5H5.Fe/c12-9-8-10(15-6-14-8)17-11(16-9)13-5-7-3-1-2-4-7;1-2-4-5-3-1;/h1-4,6H,5H2,(H2,13,14,15,16,17);1-5H;/q2*-1;