6-[2-azanyl-5-(3-methoxyphenoxy)-1H-pyrimidin-6-ylidene]-3-(2-methylprop-2-enoxy)cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[2-azanyl-5-(3-methoxyphenoxy)-1H-pyrimidin-6-ylidene]-3-(2-methylprop-2-enoxy)cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(3-methoxyphenoxy)-1H-pyrimidin-6-ylidene]-3-(2-methylallyloxy)cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(3-methoxyphenoxy)-1H-pyrimidin-6-ylidene]-3-(2-methylprop-2-enoxy)-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(3-methoxyphenoxy)-1H-pyrimidin-6-ylidene]-3-(2-methylprop-2-enoxy)cyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(3-methoxyphenoxy)-1H-pyrimidin-6-ylidene]-3-(2-methylallyloxy)cyclohexa-2,4-dien-1-one Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)COC1=CC(=O)C(=C2C(=CN=C(N2)N)OC3=CC(=CC=C3)OC)C=C1

Isomeric SMILES

CC(=C)COC1=CC(=O)C(=C2C(=CN=C(N2)N)OC3=CC(=CC=C3)OC)C=C1

InChI

InChI=1S/C21H21N3O4/c1-13(2)12-27-15-7-8-17(18(25)10-15)20-19(11-23-21(22)24-20)28-16-6-4-5-14(9-16)26-3/h4-11H,1,12H2,2-3H3,(H3,22,23,24)