4-azanyl-1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidin-2-one; cyclopenta-1,3-diene; iron

Systemtic Name: 4-azanyl-1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidin-2-one; cyclopenta-1,3-diene; iron Openeye Name: 4-amino-1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidin-2-one; cyclopenta-1,3-diene; iron CAS Name: 4-amino-1-(1-cyclopenta-2,4-dienylmethyl)-2-pyrimidinone; cyclopenta-1,3-diene; iron IUPAC Name: 4-amino-1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidin-2-one; cyclopenta-1,3-diene; iron Traditional Name: 4-amino-1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidin-2-one; cyclopenta-1,3-diene; iron Formula: C15H15FeN3O-2 MolecularWeight: 309.1441

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.C1=C[C-](C=C1)CN2C=CC(=NC2=O)N.[Fe]

Isomeric SMILES

[CH-]1C=CC=C1.C1=C[C-](C=C1)CN2C=CC(=NC2=O)N.[Fe]

InChI

InChI=1S/C10H10N3O.C5H5.Fe/c11-9-5-6-13(10(14)12-9)7-8-3-1-2-4-8;1-2-4-5-3-1;/h1-6H,7H2,(H2,11,12,14);1-5H;/q2*-1;