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

Systemtic Name: 6-chloranyl-9-(cyclopenta-2,4-dien-1-ylmethyl)purin-2-amine; cyclopenta-1,3-diene; iron Openeye Name: 6-chloro-9-(cyclopenta-2,4-dien-1-ylmethyl)purin-2-amine; cyclopenta-1,3-diene; iron CAS Name: 6-chloro-9-(1-cyclopenta-2,4-dienylmethyl)-2-purinamine; cyclopenta-1,3-diene; iron IUPAC Name: 6-chloro-9-(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]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)CN2C=NC3=C2N=C(N=C3Cl)N.[Fe]

Isomeric SMILES

[CH-]1C=CC=C1.C1=C[C-](C=C1)CN2C=NC3=C2N=C(N=C3Cl)N.[Fe]

InChI

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