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

Systemtic Name: (2E)-4-azanyl-2-[2-(2-methylpropyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-6-piperidin-3-yl-1H-pyrimidine-5-carbonitrile Openeye Name: (2E)-4-amino-2-(2-isobutyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-6-(3-piperidyl)-1H-pyrimidine-5-carbonitrile CAS Name: (2E)-4-amino-2-[2-(2-methylpropyl)-6-oxo-1-cyclohexa-2,4-dienylidene]-6-(3-piperidinyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: (2E)-4-amino-2-[2-(2-methylpropyl)-6-oxocyclohexa-2,4-dien-1-ylidene]-6-piperidin-3-yl-1H-pyrimidine-5-carbonitrile Traditional Name: (2E)-4-amino-2-(2-isobutyl-6-keto-cyclohexa-2,4-dien-1-ylidene)-6-(3-piperidyl)-1H-pyrimidine-5-carbonitrile Formula: C20H25N5O MolecularWeight: 351.4454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=CC(=O)C1=C2NC(=C(C(=N2)N)C#N)C3CCCNC3

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O/c1-12(2)9-13-5-3-7-16(26)17(13)20-24-18(14-6-4-8-23-11-14)15(10-21)19(22)25-20/h3,5,7,12,14,23-24H,4,6,8-9,11H2,1-2H3,(H2,22,25)/b20-17+