(6Z)-6-(2-azanyl-1H-pyrimidin-6-ylidene)-4-[3-(pyrrolidin-1-ylmethyl)phenyl]carbonyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-(2-azanyl-1H-pyrimidin-6-ylidene)-4-[3-(pyrrolidin-1-ylmethyl)phenyl]carbonyl-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-(2-amino-1H-pyrimidin-6-ylidene)-4-[3-(pyrrolidin-1-ylmethyl)benzoyl]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-(2-amino-1H-pyrimidin-6-ylidene)-4-[oxo-[3-(1-pyrrolidinylmethyl)phenyl]methyl]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-(2-amino-1H-pyrimidin-6-ylidene)-4-[3-(pyrrolidin-1-ylmethyl)benzoyl]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-(2-amino-1H-pyrimidin-6-ylidene)-4-[3-(pyrrolidinomethyl)benzoyl]cyclohexa-2,4-dien-1-one Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC(=C2)C(=O)C3=CC(=C4C=CN=C(N4)N)C(=O)C=C3

Isomeric SMILES

C1CCN(C1)CC2=CC=CC(=C2)C(=O)C3=C/C(=C/4\C=CN=C(N4)N)/C(=O)C=C3

InChI

InChI=1S/C22H22N4O2/c23-22-24-9-8-19(25-22)18-13-17(6-7-20(18)27)21(28)16-5-3-4-15(12-16)14-26-10-1-2-11-26/h3-9,12-13H,1-2,10-11,14H2,(H3,23,24,25)/b19-18-