(6E)-6-[2-azanyl-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-ylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[2-azanyl-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-ylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[2-amino-5-(2-phenylthiazol-4-yl)-1H-pyrimidin-6-ylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[2-amino-5-(2-phenyl-4-thiazolyl)-1H-pyrimidin-6-ylidene]-3-ethoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[2-amino-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-ylidene]-3-ethoxycyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[2-amino-5-(2-phenylthiazol-4-yl)-1H-pyrimidin-6-ylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=O)C(=C2C(=CN=C(N2)N)C3=CSC(=N3)C4=CC=CC=C4)C=C1

Isomeric SMILES

CCOC1=CC(=O)/C(=C/2\C(=CN=C(N2)N)C3=CSC(=N3)C4=CC=CC=C4)/C=C1

InChI

InChI=1S/C21H18N4O2S/c1-2-27-14-8-9-15(18(26)10-14)19-16(11-23-21(22)25-19)17-12-28-20(24-17)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H3,22,23,25)/b19-15+