(6Z)-6-[2-azanyl-5-[4-(3-methylbutoxy)phenyl]-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[2-azanyl-5-[4-(3-methylbutoxy)phenyl]-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[2-amino-5-(4-isopentyloxyphenyl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[2-amino-5-[4-(3-methylbutoxy)phenyl]-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[2-amino-5-[4-(3-methylbutoxy)phenyl]-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[2-amino-5-(4-isoamoxyphenyl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C2=CN=C(NC2=C3C=CC=CC3=O)N

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C\2=CN=C(N/C2=C\3/C=CC=CC3=O)N

InChI

InChI=1S/C21H23N3O2/c1-14(2)11-12-26-16-9-7-15(8-10-16)18-13-23-21(22)24-20(18)17-5-3-4-6-19(17)25/h3-10,13-14H,11-12H2,1-2H3,(H3,22,23,24)/b20-17-