cyclopenta-1,3-diene; N-[7-(cyclopenta-2,4-dien-1-ylmethyl)-6-oxidanylidene-3H-purin-2-yl]ethanamide; iron

Systemtic Name: cyclopenta-1,3-diene; N-[7-(cyclopenta-2,4-dien-1-ylmethyl)-6-oxidanylidene-3H-purin-2-yl]ethanamide; iron Openeye Name: cyclopenta-1,3-diene; N-[7-(cyclopenta-2,4-dien-1-ylmethyl)-6-oxo-3H-purin-2-yl]acetamide; iron CAS Name: cyclopenta-1,3-diene; N-[7-(1-cyclopenta-2,4-dienylmethyl)-6-oxo-3H-purin-2-yl]acetamide; iron IUPAC Name: cyclopenta-1,3-diene; N-[7-(cyclopenta-2,4-dien-1-ylmethyl)-6-oxo-3H-purin-2-yl]acetamide; iron Traditional Name: cyclopenta-1,3-diene; N-[7-(cyclopenta-2,4-dien-1-ylmethyl)-6-keto-3H-purin-2-yl]acetamide; iron Formula: C18H17FeN5O2-2 MolecularWeight: 391.20488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N=CN2C[C-]3C=CC=C3.[CH-]1C=CC=C1.[Fe]

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N=CN2C[C-]3C=CC=C3.[CH-]1C=CC=C1.[Fe]

InChI

InChI=1S/C13H12N5O2.C5H5.Fe/c1-8(19)15-13-16-11-10(12(20)17-13)18(7-14-11)6-9-4-2-3-5-9;1-2-4-5-3-1;/h2-5,7H,6H2,1H3,(H2,15,16,17,19,20);1-5H;/q2*-1;