6-(2-azanyl-5-pyridin-2-yl-1H-pyrimidin-6-ylidene)-4-butyl-3-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-(2-azanyl-5-pyridin-2-yl-1H-pyrimidin-6-ylidene)-4-butyl-3-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(2-pyridyl)-1H-pyrimidin-6-ylidene]-4-butyl-3-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(2-pyridinyl)-1H-pyrimidin-6-ylidene]-4-butyl-3-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-(2-amino-5-pyridin-2-yl-1H-pyrimidin-6-ylidene)-4-butyl-3-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(2-pyridyl)-1H-pyrimidin-6-ylidene]-4-butyl-3-methoxy-cyclohexa-2,4-dien-1-one Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C2C(=CN=C(N2)N)C3=CC=CC=N3)C(=O)C=C1OC

Isomeric SMILES

CCCCC1=CC(=C2C(=CN=C(N2)N)C3=CC=CC=N3)C(=O)C=C1OC

InChI

InChI=1S/C20H22N4O2/c1-3-4-7-13-10-14(17(25)11-18(13)26-2)19-15(12-23-20(21)24-19)16-8-5-6-9-22-16/h5-6,8-12H,3-4,7H2,1-2H3,(H3,21,23,24)