(2E)-4-azanyl-2-[2-(3-methylbutyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-6-piperidin-3-yl-1H-pyrimidine-5-carbonitrile

Systemtic Name: (2E)-4-azanyl-2-[2-(3-methylbutyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-6-piperidin-3-yl-1H-pyrimidine-5-carbonitrile Openeye Name: (2E)-4-amino-2-(2-isopentyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-6-(3-piperidyl)-1H-pyrimidine-5-carbonitrile CAS Name: (2E)-4-amino-2-[2-(3-methylbutyl)-6-oxo-1-cyclohexa-2,4-dienylidene]-6-(3-piperidinyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: (2E)-4-amino-2-[2-(3-methylbutyl)-6-oxocyclohexa-2,4-dien-1-ylidene]-6-piperidin-3-yl-1H-pyrimidine-5-carbonitrile Traditional Name: (2E)-4-amino-2-(2-isoamyl-6-keto-cyclohexa-2,4-dien-1-ylidene)-6-(3-piperidyl)-1H-pyrimidine-5-carbonitrile Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC=CC(=O)C1=C2NC(=C(C(=N2)N)C#N)C3CCCNC3

Isomeric SMILES

CC(C)CCC\1=CC=CC(=O)/C1=C/2\NC(=C(C(=N2)N)C#N)C3CCCNC3

InChI

InChI=1S/C21H27N5O/c1-13(2)8-9-14-5-3-7-17(27)18(14)21-25-19(15-6-4-10-24-12-15)16(11-22)20(23)26-21/h3,5,7,13,15,24-25H,4,6,8-10,12H2,1-2H3,(H2,23,26)/b21-18+